{
  "id": "barbieri-2024-ipa-water",
  "version": "2026-09-30.1",
  "title": "Vapor-liquid equilibrium data for the binary system isopropanol+water at 60 kPa and 80 kPa",
  "authors": [
    "Camilla Barbieri",
    "Giorgia De Guido",
    "Stefania Moioli"
  ],
  "doi": "10.1016/j.jct.2024.107342",
  "source": "https://doi.org/10.1016/j.jct.2024.107342",
  "journal": "The Journal of Chemical Thermodynamics 198 (2024) 107342",
  "provenance": "Numerical facts transcribed from Tables 4\u20137, page 7 of the user-supplied article; verified against rendered page. Original PDF is not redistributed.",
  "components": [
    "2-Propanol",
    "Water"
  ],
  "compositionBasis": "Mole fraction of component 1 (2-propanol)",
  "datasets": [
    {
      "pressureKPa": 60,
      "table": 4,
      "rows": [
        {
          "PkPa": 60,
          "T": 342.85,
          "x": 1.0,
          "y": 1.0
        },
        {
          "PkPa": 60,
          "T": 342.0,
          "x": 0.8986,
          "y": 0.8922
        },
        {
          "PkPa": 60,
          "T": 341.14,
          "x": 0.7865,
          "y": 0.7613
        },
        {
          "PkPa": 60,
          "T": 340.94,
          "x": 0.714,
          "y": 0.6898
        },
        {
          "PkPa": 60,
          "T": 340.92,
          "x": 0.6461,
          "y": 0.6492
        },
        {
          "PkPa": 60,
          "T": 341.05,
          "x": 0.5895,
          "y": 0.5998
        },
        {
          "PkPa": 60,
          "T": 341.25,
          "x": 0.4943,
          "y": 0.569
        },
        {
          "PkPa": 60,
          "T": 341.42,
          "x": 0.4139,
          "y": 0.5347
        },
        {
          "PkPa": 60,
          "T": 341.88,
          "x": 0.3452,
          "y": 0.525
        },
        {
          "PkPa": 60,
          "T": 342.02,
          "x": 0.2951,
          "y": 0.5056
        },
        {
          "PkPa": 60,
          "T": 342.92,
          "x": 0.1401,
          "y": 0.4769
        },
        {
          "PkPa": 60,
          "T": 344.12,
          "x": 0.0902,
          "y": 0.4638
        },
        {
          "PkPa": 60,
          "T": 346.57,
          "x": 0.069,
          "y": 0.3998
        },
        {
          "PkPa": 60,
          "T": 348.3,
          "x": 0.0371,
          "y": 0.3473
        },
        {
          "PkPa": 60,
          "T": 350.29,
          "x": 0.0323,
          "y": 0.2924
        },
        {
          "PkPa": 60,
          "T": 352.72,
          "x": 0.017,
          "y": 0.2499
        },
        {
          "PkPa": 60,
          "T": 354.75,
          "x": 0.0145,
          "y": 0.1655
        },
        {
          "PkPa": 60,
          "T": 356.52,
          "x": 0.011,
          "y": 0.1327
        },
        {
          "PkPa": 60,
          "T": 358.68,
          "x": 0.0063,
          "y": 0.0418
        },
        {
          "PkPa": 60,
          "T": 359.01,
          "x": 0.0,
          "y": 0.0
        }
      ],
      "averageExpandedUncertainty": {
        "PkPa": 0.5,
        "T": 0.073,
        "x": 0.0215,
        "y": 0.0278
      },
      "coverageFactor": 2,
      "paperConsistency": {
        "value": -4.83377669,
        "tolerancePercent": 10,
        "result": "Passed",
        "method": "Redlich\u2013Kister area test as reported; not independently reproduced"
      }
    },
    {
      "pressureKPa": 80,
      "table": 5,
      "rows": [
        {
          "PkPa": 80,
          "T": 349.57,
          "x": 1.0,
          "y": 1.0
        },
        {
          "PkPa": 80,
          "T": 349.45,
          "x": 0.9848,
          "y": 0.9787
        },
        {
          "PkPa": 80,
          "T": 349.26,
          "x": 0.9709,
          "y": 0.9578
        },
        {
          "PkPa": 80,
          "T": 349.01,
          "x": 0.9504,
          "y": 0.9286
        },
        {
          "PkPa": 80,
          "T": 348.44,
          "x": 0.8929,
          "y": 0.8607
        },
        {
          "PkPa": 80,
          "T": 347.83,
          "x": 0.8069,
          "y": 0.7683
        },
        {
          "PkPa": 80,
          "T": 347.61,
          "x": 0.7055,
          "y": 0.6948
        },
        {
          "PkPa": 80,
          "T": 347.6,
          "x": 0.6757,
          "y": 0.6784
        },
        {
          "PkPa": 80,
          "T": 347.62,
          "x": 0.654,
          "y": 0.6641
        },
        {
          "PkPa": 80,
          "T": 347.66,
          "x": 0.6064,
          "y": 0.6422
        },
        {
          "PkPa": 80,
          "T": 347.83,
          "x": 0.5141,
          "y": 0.6067
        },
        {
          "PkPa": 80,
          "T": 348.42,
          "x": 0.3835,
          "y": 0.5797
        },
        {
          "PkPa": 80,
          "T": 348.8,
          "x": 0.2795,
          "y": 0.5662
        },
        {
          "PkPa": 80,
          "T": 349.36,
          "x": 0.1719,
          "y": 0.5476
        },
        {
          "PkPa": 80,
          "T": 350.68,
          "x": 0.0941,
          "y": 0.4943
        },
        {
          "PkPa": 80,
          "T": 353.49,
          "x": 0.0441,
          "y": 0.4294
        },
        {
          "PkPa": 80,
          "T": 356.69,
          "x": 0.0209,
          "y": 0.3541
        },
        {
          "PkPa": 80,
          "T": 359.73,
          "x": 0.0153,
          "y": 0.2527
        },
        {
          "PkPa": 80,
          "T": 362.78,
          "x": 0.0095,
          "y": 0.1685
        },
        {
          "PkPa": 80,
          "T": 366.57,
          "x": 0.0,
          "y": 0.0
        }
      ],
      "averageExpandedUncertainty": {
        "PkPa": 0.5,
        "T": 0.036,
        "x": 0.03,
        "y": 0.0286
      },
      "coverageFactor": 2,
      "paperConsistency": {
        "value": -0.654151307,
        "tolerancePercent": 10,
        "result": "Passed",
        "method": "Redlich\u2013Kister area test as reported; not independently reproduced"
      }
    }
  ],
  "nrtl": {
    "alpha": 0.47,
    "a12": -1.39470283,
    "a21": 4.50009825,
    "b12": 627.160288,
    "b21": -791.079743,
    "convention": "tau_ij = a_ij + b_ij/T; G_ij = exp(-alpha*tau_ij)",
    "unitNote": "b has units K by Eq. (2); Table 7 prints 1/K. Values are retained as printed."
  },
  "properties": [
    {
      "name": "2-Propanol",
      "A": 4.861,
      "B": 1357.427,
      "C": -75.814,
      "rangeK": [
        329.92,
        362.41
      ],
      "source": "https://webbook.nist.gov/cgi/cbook.cgi?ID=C67630&Mask=4&Units=SI",
      "reference": "Biddiscombe, Collerson, et al. (1963), NIST Antoine fit",
      "accessed": "2026-09-30"
    },
    {
      "name": "Water",
      "A": 5.0768,
      "B": 1659.793,
      "C": -45.854,
      "rangeK": [
        334,
        363
      ],
      "source": "https://webbook.nist.gov/cgi/cbook.cgi?ID=C7732185&Mask=4&Units=SI",
      "reference": "Bridgeman and Aldrich (1964), NIST Antoine fit",
      "accessed": "2026-09-30"
    }
  ],
  "propertyConvention": "log10(P/bar) = A - B/(T/K + C); domain intersection 334\u2013362.41 K. No extrapolation.",
  "assumptions": [
    "Ideal vapor",
    "Negligible Poynting correction",
    "Pure-liquid standard states",
    "Educational calculation, not a reproduction of Aspen regression or Table 6"
  ]
}