{
 "about": "pK at 4, 25 and 37 °C and at 274 and 350 K for all 34 buffers the starter offers, by Goldberg 2002 equation 12 in Python decimal (50 digits), from a third transcription of section 8 typed from the paper; two temperatures just outside the stated range are refused. Expected values are 20-significant-digit decimal strings; the engine is compared within 1e-9 absolute, and its parameters must equal the transcription exactly.",
 "source": "Goldberg RN, Kishore N, Lennen RM. J Phys Chem Ref Data 2002;31:231-370, doi:10.1063/1.1416902, section 8, pp. 359-360 (srd.nist.gov/JPCRD/jpcrd615.pdf, read 21 October 2026)",
 "oracle": {
  "name": "Goldberg 2002 equation 12 in Python decimal",
  "version": "Python 3.13.16 decimal, precision 50",
  "script": "pipeline/lab-calculators/buffers_reference_2.py",
  "scriptSha256": "b6b9a51abbb955b7d27f075a3c26692ae382deb4bfc1af93ab61ae6768364c6a",
  "command": "python3 pipeline/lab-calculators/buffers_reference_2.py"
 },
 "method": "pka-temperature-goldberg@1.1.0",
 "constants": {
  "R": 8.31451,
  "referenceTemperatureK": 298.15,
  "rangeK": [
   274.0,
   350.0
  ]
 },
 "tolerance": "pK, van 't Hoff and slope within 1e-9 absolute; parameters exact; refusals exact",
 "recordedOn": "2026-10-21",
 "count": 36,
 "newCases": 19,
 "cases": [
  {
   "id": "acetate",
   "reaction": "HL = H+ + L−",
   "input": {
    "pK": 4.756,
    "dH": -0.41,
    "dCp": -142.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "4.7708314791114911076",
     "25 °C": "4.7560000000000000000",
     "37 °C": "4.7644782873674338445",
     "274 K": "4.7768905762974300841",
     "350 K": "4.8570822796743940066"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "4.7505574665593746440",
     "25 °C": "4.7560000000000000000",
     "37 °C": "4.7587791126746400450",
     "274 K": "4.7496691318812784123",
     "350 K": "4.7666408766963461371"
    },
    "linearSlopePerK": "0.00024091391247124208949"
   }
  },
  {
   "id": "ada-3",
   "reaction": "HL− = H+ + L2−",
   "input": {
    "pK": 6.844,
    "dH": 12.23,
    "dCp": -144.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "7.0269063522169939319",
     "25 °C": "6.8440000000000000000",
     "37 °C": "6.7668805471714559503",
     "274 K": "7.0604500086806703389",
     "350 K": "6.6183056597105369936"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.0063467901923124478",
     "25 °C": "6.8440000000000000000",
     "37 °C": "6.7611011024125664634",
     "274 K": "7.0328451636389390662",
     "350 K": "6.5265904341553335204"
    },
    "linearSlopePerK": "-0.0071862857305446115962"
   }
  },
  {
   "id": "ammonia",
   "reaction": "NH4+ = H+ + NH3",
   "input": {
    "pK": 9.245,
    "dH": 51.95,
    "dCp": 8.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "9.9334666124523917296",
     "25 °C": "9.2450000000000000000",
     "37 °C": "8.8925450088879335038",
     "274 K": "10.045633711564965691",
     "350 K": "7.8916277721909341165"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "9.9346088103426518120",
     "25 °C": "9.2450000000000000000",
     "37 °C": "8.8928660891523162531",
     "274 K": "10.047167314067284095",
     "350 K": "7.8967230624995565317"
    },
    "linearSlopePerK": "-0.030525555494831772071"
   }
  },
  {
   "id": "bes",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.187,
    "dH": 24.25,
    "dCp": -2.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "7.5091914907778452216",
     "25 °C": "7.1870000000000000000",
     "37 °C": "7.0227059228465320518",
     "274 K": "7.5618310881353320421",
     "350 K": "6.5589048960249755440"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.5089059413052802010",
     "25 °C": "7.1870000000000000000",
     "37 °C": "7.0226256527804363645",
     "274 K": "7.5614476875097524411",
     "350 K": "6.5576310734478199402"
    },
    "linearSlopePerK": "-0.014249176530311269927"
   }
  },
  {
   "id": "bicine",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 8.334,
    "dH": 26.34,
    "dCp": 0.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "8.6836495873806631132",
     "25 °C": "8.3340000000000000000",
     "37 °C": "8.1554589564633688182",
     "274 K": "8.7407196737734795587",
     "350 K": "7.6503885556542506072"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.6836495873806631132",
     "25 °C": "8.3340000000000000000",
     "37 °C": "8.1554589564633688182",
     "274 K": "8.7407196737734795587",
     "350 K": "7.6503885556542506072"
    },
    "linearSlopePerK": "-0.015477249889006138139"
   }
  },
  {
   "id": "bis-tris",
   "reaction": "H3L+ = H+ + H2L±",
   "input": {
    "pK": 6.484,
    "dH": 28.4,
    "dCp": 27.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "6.8571400814222261478",
     "25 °C": "6.4840000000000000000",
     "37 °C": "6.2904119639619099842",
     "274 K": "6.9173525173392926782",
     "350 K": "5.7297280338029596086"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "6.8609949993018539261",
     "25 °C": "6.4840000000000000000",
     "37 °C": "6.2914956098542017630",
     "274 K": "6.9225284257846172918",
     "350 K": "5.7469246385945602599"
    },
    "linearSlopePerK": "-0.016687695400447013028"
   }
  },
  {
   "id": "borate",
   "reaction": "H3BO3 = H+ + H2BO3−",
   "input": {
    "pK": 9.237,
    "dH": 13.8,
    "dCp": -240.0
   },
   "approximateDCp": true,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "9.4544536476361681137",
     "25 °C": "9.2370000000000000000",
     "37 °C": "9.1530915422972565742",
     "274 K": "9.4960958312606689743",
     "350 K": "9.0317023716743390606"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "9.4201877109283656402",
     "25 °C": "9.2370000000000000000",
     "37 °C": "9.1434591343657740961",
     "274 K": "9.4500877561911168531",
     "350 K": "8.8788436624156666052"
    },
    "linearSlopePerK": "-0.0081088097368369288657"
   }
  },
  {
   "id": "caps",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 10.499,
    "dH": 48.1,
    "dCp": 57.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "11.129363933919895992",
     "25 °C": "10.499000000000000000",
     "37 °C": "10.170674938115818855",
     "274 K": "11.230792000489294461",
     "350 K": "9.2143395465650916475"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "11.137502093887999079",
     "25 °C": "10.499000000000000000",
     "37 °C": "10.172962634999545944",
     "274 K": "11.241718918318313089",
     "350 K": "9.2506434900140263556"
    },
    "linearSlopePerK": "-0.028263315097235962206"
   }
  },
  {
   "id": "capso",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 9.825,
    "dH": 46.67,
    "dCp": 21.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "10.441521329742909633",
     "25 °C": "9.8250000000000000000",
     "37 °C": "9.5078128020487979690",
     "274 K": "10.541612379042966619",
     "350 K": "8.6003816546021241647"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "10.444519599204842350",
     "25 °C": "9.8250000000000000000",
     "37 °C": "9.5086556377428026859",
     "274 K": "10.545638085611552430",
     "350 K": "8.6137567916622580045"
    },
    "linearSlopePerK": "-0.027423054378128947113"
   }
  },
  {
   "id": "carbonate-1",
   "reaction": "H2CO3 = H+ + HCO3−",
   "input": {
    "pK": 6.351,
    "dH": 9.15,
    "dCp": -371.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "6.5254308441894015851",
     "25 °C": "6.3510000000000000000",
     "37 °C": "6.3038684363511002134",
     "274 K": "6.5634072630847782487",
     "350 K": "6.3498208642292738836"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "6.4724614170285902614",
     "25 °C": "6.3510000000000000000",
     "37 °C": "6.2889783390903502159",
     "274 K": "6.4922864470397622613",
     "350 K": "6.1135267761669093795"
    },
    "linearSlopePerK": "-0.0053764934124679637045"
   }
  },
  {
   "id": "carbonate-2",
   "reaction": "HCO3− = H+ + CO3 2−",
   "input": {
    "pK": 10.329,
    "dH": 14.7,
    "dCp": -249.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "10.559685644888473683",
     "25 °C": "10.329000000000000000",
     "37 °C": "10.239352266357672434",
     "274 K": "10.603718161653458713",
     "350 K": "10.106076551255169708"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "10.524134735554128617",
     "25 °C": "10.329000000000000000",
     "37 °C": "10.229358643128759363",
     "274 K": "10.555984783768798387",
     "350 K": "9.9474856403992970359"
    },
    "linearSlopePerK": "-0.0086376451544567285744"
   }
  },
  {
   "id": "ches",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 9.394,
    "dH": 39.55,
    "dCp": 9.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "9.9177203873167082093",
     "25 °C": "9.3940000000000000000",
     "37 °C": "9.1255560864537553129",
     "274 K": "10.002971853515230313",
     "350 K": "8.3618124975723370462"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "9.9190053599432508020",
     "25 °C": "9.3940000000000000000",
     "37 °C": "9.1259173017511859058",
     "274 K": "10.004697156330338517",
     "350 K": "8.3675446991695372633"
    },
    "linearSlopePerK": "-0.023239378629847864974"
   }
  },
  {
   "id": "citrate-1",
   "reaction": "H3L = H+ + H2L−",
   "input": {
    "pK": 3.128,
    "dH": 4.07,
    "dCp": -131.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "3.2007305907050703107",
     "25 °C": "3.1280000000000000000",
     "37 °C": "3.1056699122907675607",
     "274 K": "3.2159581879100903583",
     "350 K": "3.1058052125741096633"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "3.1820271002520614605",
     "25 °C": "3.1280000000000000000",
     "37 °C": "3.1004122229615000414",
     "274 K": "3.1908454469346264922",
     "350 K": "3.0223698337704176147"
    },
    "linearSlopePerK": "-0.0023915112774584275713"
   }
  },
  {
   "id": "citrate-2",
   "reaction": "H2L− = H+ + HL2−",
   "input": {
    "pK": 4.761,
    "dH": 2.23,
    "dCp": -178.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "4.8160159751865662098",
     "25 °C": "4.7610000000000000000",
     "37 °C": "4.7530283742619129999",
     "274 K": "4.8295564017857287350",
     "350 K": "4.8164942214818441385"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "4.7906020721282793752",
     "25 °C": "4.7610000000000000000",
     "37 °C": "4.7458843383793968286",
     "274 K": "4.7954337461091442451",
     "350 K": "4.7031240121149954007"
    },
    "linearSlopePerK": "-0.0013103366458801703892"
   }
  },
  {
   "id": "citrate-3",
   "reaction": "HL2− = H+ + L3−",
   "input": {
    "pK": 6.396,
    "dH": -3.38,
    "dCp": -254.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "6.3873970683101144393",
     "25 °C": "6.3960000000000000000",
     "37 °C": "6.4291050321509409528",
     "274 K": "6.3925008203235386788",
     "350 K": "6.6454978166491273976"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "6.3511322852943568215",
     "25 °C": "6.3960000000000000000",
     "37 °C": "6.4189107337567886634",
     "274 K": "6.3438089408749293505",
     "350 K": "6.4837223493503657156"
    },
    "linearSlopePerK": "0.0019860707906165811280"
   }
  },
  {
   "id": "dipso",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.576,
    "dH": 30.18,
    "dCp": 42.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "7.9706270201933863801",
     "25 °C": "7.5760000000000000000",
     "37 °C": "7.3697445224640965243",
     "274 K": "8.0339622449677491488",
     "350 K": "6.7659773875974727655"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.9766235591172518130",
     "25 °C": "7.5760000000000000000",
     "37 °C": "7.3714301938521059580",
     "274 K": "8.0420136581049207700",
     "350 K": "6.7927276617177404452"
    },
    "linearSlopePerK": "-0.017733614337517283563"
   }
  },
  {
   "id": "ethanolamine",
   "reaction": "HL+ = H+ + L",
   "input": {
    "pK": 9.498,
    "dH": 50.52,
    "dCp": 26.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "10.164914172516149815",
     "25 °C": "9.4980000000000000000",
     "37 °C": "9.1545155810363290601",
     "274 K": "10.273102273227988623",
     "350 K": "8.1702766706447653313"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "10.168626315659495083",
     "25 °C": "9.4980000000000000000",
     "37 °C": "9.1555590918955729953",
     "274 K": "10.278086481360523436",
     "350 K": "8.1868363641477881806"
    },
    "linearSlopePerK": "-0.029685294775724756978"
   }
  },
  {
   "id": "glycine-2",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 9.78,
    "dH": 44.2,
    "dCp": -57.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "10.374869813811129268",
     "25 °C": "9.7800000000000000000",
     "37 °C": "9.4826857939103368746",
     "274 K": "10.473425383310711738",
     "350 K": "8.6691655288672291971"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "10.366731653843026181",
     "25 °C": "9.7800000000000000000",
     "37 °C": "9.4803980970266097860",
     "274 K": "10.462498465481693109",
     "350 K": "8.6328615854182944890"
    },
    "linearSlopePerK": "-0.025971694954216830135"
   }
  },
  {
   "id": "glycylglycine-2",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 8.265,
    "dH": 43.4,
    "dCp": -16.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "8.8433964721784236999",
     "25 °C": "8.2650000000000000000",
     "37 °C": "7.9714629164327217138",
     "274 K": "8.9382127570839463315",
     "350 K": "7.1488148522723122698"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.8411120763979035350",
     "25 °C": "8.2650000000000000000",
     "37 °C": "7.9708207559039562153",
     "274 K": "8.9351455520793095234",
     "350 K": "7.1386242716550674394"
    },
    "linearSlopePerK": "-0.025501619027443674839"
   }
  },
  {
   "id": "hepes",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.564,
    "dH": 20.4,
    "dCp": 47.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "7.8280888122453494836",
     "25 °C": "7.5640000000000000000",
     "37 °C": "7.4238358520744174031",
     "274 K": "7.8699893770596608112",
     "350 K": "7.0046166703991330749"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.8347992248506274680",
     "25 °C": "7.5640000000000000000",
     "37 °C": "7.4257221986276660551",
     "274 K": "7.8789992917607814350",
     "350 K": "7.0345515009622897641"
    },
    "linearSlopePerK": "-0.011986936132715460062"
   }
  },
  {
   "id": "heppso",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 8.042,
    "dH": 23.7,
    "dCp": 47.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "8.3498945692064803976",
     "25 °C": "8.0420000000000000000",
     "37 °C": "7.8794673842053633826",
     "274 K": "8.3989451448444931022",
     "350 K": "7.3969705896724446544"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.3566049818117583820",
     "25 °C": "8.0420000000000000000",
     "37 °C": "7.8813537307586120346",
     "274 K": "8.4079550595456137259",
     "350 K": "7.4269054202356013436"
    },
    "linearSlopePerK": "-0.013925999330654725661"
   }
  },
  {
   "id": "imidazole",
   "reaction": "HL+ = H+ + L",
   "input": {
    "pK": 6.993,
    "dH": 36.64,
    "dCp": -9.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "7.4806616196131597707",
     "25 °C": "6.9930000000000000000",
     "37 °C": "6.7450034387149641350",
     "274 K": "7.5604887366442764289",
     "350 K": "6.0478011719529990876"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.4793766469866171779",
     "25 °C": "6.9930000000000000000",
     "37 °C": "6.7446422234175335421",
     "274 K": "7.5587634338291682244",
     "350 K": "6.0420689703557988705"
    },
    "linearSlopePerK": "-0.021529477446210512583"
   }
  },
  {
   "id": "maleate-2",
   "reaction": "HL− = H+ + L2−",
   "input": {
    "pK": 6.27,
    "dH": -3.6,
    "dCp": -31.0
   },
   "approximateDCp": true,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "6.2266379183217059134",
     "25 °C": "6.2700000000000000000",
     "37 °C": "6.2956461509725420849",
     "274 K": "6.2203545993857576801",
     "350 K": "6.3831763380113901357"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "6.2222119014969480939",
     "25 °C": "6.2700000000000000000",
     "37 °C": "6.2944019649480589315",
     "274 K": "6.2144118896892738644",
     "350 K": "6.3634320880654782769"
    },
    "linearSlopePerK": "0.0021153416704791988345"
   }
  },
  {
   "id": "mes",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 6.27,
    "dH": 14.8,
    "dCp": 5.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "6.4657483090533563959",
     "25 °C": "6.2700000000000000000",
     "37 °C": "6.1694801356038518413",
     "274 K": "6.4975703963801473327",
     "350 K": "5.8827057481768114076"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "6.4664621827347689474",
     "25 °C": "6.2700000000000000000",
     "37 °C": "6.1696808107690910596",
     "274 K": "6.4985288979440963352",
     "350 K": "5.8858903046197004171"
    },
    "linearSlopePerK": "-0.0086964046453033729864"
   }
  },
  {
   "id": "mops",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.184,
    "dH": 21.1,
    "dCp": 25.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "7.4605219867080470255",
     "25 °C": "7.1840000000000000000",
     "37 °C": "7.0399739962837918381",
     "274 K": "7.5050155831681220598",
     "350 K": "6.6204613682906683851"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.4640913551151097831",
     "25 °C": "7.1840000000000000000",
     "37 °C": "7.0409773721099879295",
     "274 K": "7.5098080909878670725",
     "350 K": "6.6363841505051134325"
    },
    "linearSlopePerK": "-0.012398252568641970947"
   }
  },
  {
   "id": "phosphate-2",
   "reaction": "H2PO4− = H+ + HPO4 2−",
   "input": {
    "pK": 7.198,
    "dH": 3.6,
    "dCp": -230.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "7.2786262878480292766",
     "25 °C": "7.1980000000000000000",
     "37 °C": "7.1828290926529451101",
     "274 K": "7.2976791822523802517",
     "350 K": "7.2510575083074161596"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.2457880985030519061",
     "25 °C": "7.1980000000000000000",
     "37 °C": "7.1735980350519410685",
     "274 K": "7.2535881103107261356",
     "350 K": "7.1045679119345217231"
    },
    "linearSlopePerK": "-0.0021153416704791988345"
   }
  },
  {
   "id": "pipes",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.141,
    "dH": 11.2,
    "dCp": 22.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "7.2865330400335018145",
     "25 °C": "7.1410000000000000000",
     "37 °C": "7.0641998049900974305",
     "274 K": "7.3097233807519945885",
     "350 K": "6.8363103443364670523"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.2896740842317170413",
     "25 °C": "7.1410000000000000000",
     "37 °C": "7.0650827757171499910",
     "274 K": "7.3139407876333701996",
     "350 K": "6.8503223926851786940"
    },
    "linearSlopePerK": "-0.0065810629748241741519"
   }
  },
  {
   "id": "succinate-2",
   "reaction": "HL− = H+ + L2−",
   "input": {
    "pK": 5.636,
    "dH": -0.5,
    "dCp": -217.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "5.6603448818701030829",
     "25 °C": "5.6360000000000000000",
     "37 °C": "5.6480984639697235922",
     "274 K": "5.6698783969988969685",
     "350 K": "5.7871864285193661058"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "5.6293627640967983464",
     "25 °C": "5.6360000000000000000",
     "37 °C": "5.6393891617983415183",
     "274 K": "5.6282794291235102589",
     "350 K": "5.6489766788979830940"
    },
    "linearSlopePerK": "0.00029379745423322206035"
   }
  },
  {
   "id": "taps",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 8.44,
    "dH": 40.4,
    "dCp": 15.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "8.9741470399344559586",
     "25 °C": "8.4400000000000000000",
     "37 °C": "8.1655537011982876699",
     "274 K": "9.0609466221285240695",
     "350 K": "7.3819306757142989750"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.9762886609786936132",
     "25 °C": "8.4400000000000000000",
     "37 °C": "8.1661557266940053248",
     "274 K": "9.0638221268203710771",
     "350 K": "7.3914843450429660035"
    },
    "linearSlopePerK": "-0.023738834302044342476"
   }
  },
  {
   "id": "tapso",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.635,
    "dH": 39.09,
    "dCp": -16.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "8.1561834986928254456",
     "25 °C": "7.6350000000000000000",
     "37 °C": "7.3706774911344256012",
     "274 K": "8.2416614361286047636",
     "350 K": "6.6306738243729265402"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.1538991029123052807",
     "25 °C": "7.6350000000000000000",
     "37 °C": "7.3700353306056601026",
     "274 K": "8.2385942311239679556",
     "350 K": "6.6204832437556817098"
    },
    "linearSlopePerK": "-0.022969084971953300678"
   }
  },
  {
   "id": "tes",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 7.55,
    "dH": 32.13,
    "dCp": 0.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "7.9765087791397382622",
     "25 °C": "7.5500000000000000000",
     "37 °C": "7.3322124628385740368",
     "274 K": "8.0461238845232307601",
     "350 K": "6.7161186140156063785"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "7.9765087791397382622",
     "25 °C": "7.5500000000000000000",
     "37 °C": "7.3322124628385740368",
     "274 K": "8.0461238845232307601",
     "350 K": "6.7161186140156063785"
    },
    "linearSlopePerK": "-0.018879424409026849598"
   }
  },
  {
   "id": "tricine",
   "reaction": "HL± = H+ + L−",
   "input": {
    "pK": 8.135,
    "dH": 31.37,
    "dCp": -53.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "8.5589872415898447949",
     "25 °C": "8.1350000000000000000",
     "37 °C": "7.9244911455235888585",
     "274 K": "8.6295487333688257805",
     "350 K": "7.3545994642351641820"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.5514201805668717487",
     "25 °C": "8.1350000000000000000",
     "37 °C": "7.9223639887720531445",
     "274 K": "8.6193886167909663537",
     "350 K": "7.3208431659405406814"
    },
    "linearSlopePerK": "-0.018432852278592352067"
   }
  },
  {
   "id": "triethanolamine",
   "reaction": "HL+ = H+ + L",
   "input": {
    "pK": 7.762,
    "dH": 33.6,
    "dCp": 50.0
   },
   "approximateDCp": false,
   "newIn0110": true,
   "expected": {
    "pKAt": {
     "4 °C": "8.2008835158810256085",
     "25 °C": "7.7620000000000000000",
     "37 °C": "7.5322415754990577902",
     "274 K": "8.2712373472606205735",
     "350 K": "6.8581216136266459872"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.2080222526951511238",
     "25 °C": "7.7620000000000000000",
     "37 °C": "7.5342483271514499731",
     "274 K": "8.2808223629001105988",
     "350 K": "6.8899671780555360821"
    },
    "linearSlopePerK": "-0.019743188924472522456"
   }
  },
  {
   "id": "tris",
   "reaction": "HL+ = H+ + L",
   "input": {
    "pK": 8.072,
    "dH": 47.45,
    "dCp": -59.0
   },
   "approximateDCp": false,
   "newIn0110": false,
   "expected": {
    "pKAt": {
     "4 °C": "8.7102973966545050374",
     "25 °C": "8.0720000000000000000",
     "37 °C": "7.7527365122872126933",
     "274 K": "8.8159924946334746558",
     "350 K": "6.8780909386074946898"
    },
    "vanTHoffOnlyAt": {
     "4 °C": "8.7018736872138369294",
     "25 °C": "8.0720000000000000000",
     "37 °C": "7.7503685453373899174",
     "274 K": "8.8046821761788764260",
     "350 K": "6.8405131725814043779"
    },
    "linearSlopePerK": "-0.027881378406732773527"
   }
  }
 ],
 "refusals": [
  {
   "id": "outside-273.99",
   "temperatureK": 273.99,
   "expected": "refused: outside 274 to 350 K"
  },
  {
   "id": "outside-350.01",
   "temperatureK": 350.01,
   "expected": "refused: outside 274 to 350 K"
  }
 ]
}