| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4939 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-5070.20; -5050.13] | kJ/mol |
|
| ΔcH°liquid | -5050.13 | kJ/mol | NIST |
| ΔcH°liquid | -5070.20 | kJ/mol | NIST |
| ΔfG° | -112.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.10 ± 2.50 | kJ/mol | NIST |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.80; 52.60] | kJ/mol |
|
| ΔvapH° | 52.60 | kJ/mol | NIST |
| ΔvapH° | 52.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 51.80 | kJ/mol | NIST |
| ΔvapH° | 39.80 ± 0.20 | kJ/mol | NIST |
| IE | [9.38; 9.75] | eV |
|
| IE | 9.75 | eV | NIST |
| IE | 9.40 ± 0.03 | eV | NIST |
| IE | 9.38 | eV | NIST |
| log10WS | [-2.05; -2.05] |
|
|
| log10WS | -2.05 | Aq. Solubility Prediction | |
| log10WS | -2.05 | Estimated Solubility | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| ρc | 257.71 ± 2.56 | kg/m3 | NIST |
| Inp | [938.50; 1009.00] |
|
|
| Inp | 968.80 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 974.20 | NIST | |
| Inp | 993.40 | NIST | |
| Inp | 994.10 | NIST | |
| Inp | 995.60 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | Outlier 938.50 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | Outlier 1009.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 989.40 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 998.90 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 988.85 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 998.90 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 976.00 | NIST | |
| I | [1262.00; 1323.00] |
|
|
| I | 1296.35 | NIST | |
| I | 1309.62 | NIST | |
| I | 1304.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1283.00 | NIST | |
| I | 1283.00 | NIST | |
| I | 1281.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1269.00 | NIST | |
| I | 1281.00 | NIST | |
| I | 1293.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1293.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1285.00 | NIST | |
| I | Outlier 1319.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1275.00 | NIST | |
| I | Outlier 1323.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1279.00 | NIST | |
| I | 1268.00 | NIST | |
| I | Outlier 1320.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1281.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1273.00 | NIST | |
| I | Outlier 1262.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1283.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1276.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1295.00 | NIST | |
| S°liquid | 373.84 | J/mol×K | NIST |
| Tboil | [442.65; 447.30] | K |
|
| Tboil | 445.70 | K | NIST |
| Tboil | 445.65 ± 2.00 | K | NIST |
| Tboil | 445.65 ± 3.50 | K | NIST |
| Tboil | 446.15 ± 2.00 | K | NIST |
| Tboil | 445.65 ± 2.00 | K | NIST |
| Tboil | 446.10 ± 2.00 | K | NIST |
| Tboil | 446.35 ± 1.00 | K | NIST |
| Tboil | 444.15 ± 2.00 | K | NIST |
| Tboil | 446.00 ± 2.00 | K | NIST |
| Tboil | 446.65 ± 2.00 | K | NIST |
| Tboil | 446.00 ± 0.60 | K | NIST |
| Tboil | 444.65 ± 2.00 | K | NIST |
| Tboil | 445.65 ± 2.00 | K | NIST |
| Tboil | 446.05 ± 0.30 | K | NIST |
| Tboil | 444.15 ± 2.00 | K | NIST |
| Tboil | Outlier 442.65 ± 2.00 | K | NIST |
| Tboil | 446.45 ± 2.00 | K | NIST |
| Tboil | 447.05 ± 2.00 | K | NIST |
| Tboil | 446.65 ± 2.00 | K | NIST |
| Tboil | 447.00 ± 2.00 | K | NIST |
| Tboil | 447.30 ± 0.40 | K | NIST |
| Tboil | 447.25 ± 2.00 | K | NIST |
| Tboil | 445.85 ± 0.40 | K | NIST |
| Tboil | 446.40 ± 2.00 | K | NIST |
| Tboil | Outlier 442.70 ± 1.50 | K | NIST |
| Tboil | 446.07 ± 2.00 | K | NIST |
| Tboil | 444.40 ± 2.00 | K | NIST |
| Tc | 632.70 ± 0.20 | K | NIST |
| Tfus | [251.15; 255.48] | K |
|
| Tfus | 253.40 | K | Vapour liquid equilibria, azeotropic data, excess enthalpies, activity coefficients at infinite dilution and solid liquid equilibria for binary alcohol ketone systems |
| Tfus | 255.48 | K | Aq. Solubility Prediction |
| Tfus | 251.60 ± 0.40 | K | NIST |
| Tfus | 251.15 ± 0.50 | K | NIST |
| Ttriple | [252.79; 252.86] | K |
|
| Ttriple | 252.79 ± 0.08 | K | NIST |
| Ttriple | 252.86 ± 0.06 | K | NIST |
| Ttriple | 252.79 ± 0.08 | K | NIST |
| Ttriple | 252.86 ± 0.06 | K | NIST |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.50; 323.31] | J/mol×K | [436.31; 611.72] | |
| Cp,gas | 255.50 | J/mol×K | 436.31 | Joback Calculated Property |
| Cp,gas | 267.99 | J/mol×K | 465.55 | Joback Calculated Property |
| Cp,gas | 280.00 | J/mol×K | 494.78 | Joback Calculated Property |
| Cp,gas | 291.52 | J/mol×K | 524.02 | Joback Calculated Property |
| Cp,gas | 302.57 | J/mol×K | 553.25 | Joback Calculated Property |
| Cp,gas | 313.17 | J/mol×K | 582.49 | Joback Calculated Property |
| Cp,gas | 323.31 | J/mol×K | 611.72 | Joback Calculated Property |
| Cp,liquid | [273.26; 274.50] | J/mol×K | [298.00; 298.15] | |
| Cp,liquid | 274.50 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 273.26 | J/mol×K | 298.15 | NIST |
| η | [0.0002948; 0.0043730] | Pa×s | [229.85; 436.31] | |
| η | 0.0043730 | Pa×s | 229.85 | Joback Calculated Property |
| η | 0.0020821 | Pa×s | 264.26 | Joback Calculated Property |
| η | 0.0011762 | Pa×s | 298.67 | Joback Calculated Property |
| η | 0.0007477 | Pa×s | 333.08 | Joback Calculated Property |
| η | 0.0005173 | Pa×s | 367.49 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 401.90 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 436.31 | Joback Calculated Property |
| ΔfusH | [24.42; 24.42] | kJ/mol | [252.86; 252.90] | |
| ΔfusH | 24.42 | kJ/mol | 252.86 | NIST |
| ΔfusH | 24.42 | kJ/mol | 252.86 | NIST |
| ΔfusH | 24.42 | kJ/mol | 252.86 | NIST |
| ΔfusH | 24.42 | kJ/mol | 252.90 | NIST |
| ΔvapH | [49.10; 50.60] | kJ/mol | [371.00; 422.00] | |
| ΔvapH | 50.60 | kJ/mol | 371.00 | NIST |
| ΔvapH | 49.80 | kJ/mol | 381.50 | NIST |
| ΔvapH | 49.10 | kJ/mol | 422.00 | NIST |
| ρl | [814.28; 819.90] | kg/m3 | [293.15; 298.15] | |
| ρl | 819.90 | kg/m3 | 293.15 | Correlation of Experimental Liquid Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network |
| ρl | 814.32 | kg/m3 | 298.15 | Excess molar enthalpies of binary systems containing 2-octanone, hexanoic acid, or octanoic acid at T = 298.15 K |
| ρl | 814.28 | kg/m3 | 298.15 | Excess Molar Enthalpies of Binary Systems of 2-Octanone or 3-Octanone with Dodecane, Tetradecane, or Hexadecane at 298.15 K |
| ΔfusS | [96.57; 96.57] | J/mol×K | [252.86; 252.86] | |
| ΔfusS | 96.57 | J/mol×K | 252.86 | NIST |
| ΔfusS | 96.57 | J/mol×K | 252.86 | NIST |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [334.42; 473.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50683e+01 | |||
| Coefficient B | -3.97956e+03 | |||
| Coefficient C | -6.51800e+01 | |||
| Temperature range, min. | 334.42 | |||
| Temperature range, max. | 473.05 | |||
| Pvap | 1.33 | kPa | 334.42 | Calculated Property |
| Pvap | 2.97 | kPa | 349.82 | Calculated Property |
| Pvap | 6.08 | kPa | 365.23 | Calculated Property |
| Pvap | 11.62 | kPa | 380.63 | Calculated Property |
| Pvap | 20.91 | kPa | 396.03 | Calculated Property |
| Pvap | 35.70 | kPa | 411.44 | Calculated Property |
| Pvap | 58.25 | kPa | 426.84 | Calculated Property |
| Pvap | 91.31 | kPa | 442.24 | Calculated Property |
| Pvap | 138.16 | kPa | 457.65 | Calculated Property |
| Pvap | 202.63 | kPa | 473.05 | Calculated Property |
| Pvap | [6.79e-04; 2691.64] | kPa | [252.85; 624.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.12914e+02 | |||
| Coefficient B | -1.52457e+04 | |||
| Coefficient C | -2.91025e+01 | |||
| Coefficient D | 1.72689e-05 | |||
| Temperature range, min. | 252.85 | |||
| Temperature range, max. | 624.00 | |||
| Pvap | 6.79e-04 | kPa | 252.85 | Calculated Property |
| Pvap | 0.06 | kPa | 294.09 | Calculated Property |
| Pvap | 1.17 | kPa | 335.33 | Calculated Property |
| Pvap | 9.65 | kPa | 376.57 | Calculated Property |
| Pvap | 44.91 | kPa | 417.81 | Calculated Property |
| Pvap | 143.70 | kPa | 459.04 | Calculated Property |
| Pvap | 359.59 | kPa | 500.28 | Calculated Property |
| Pvap | 766.94 | kPa | 541.52 | Calculated Property |
| Pvap | 1479.42 | kPa | 582.76 | Calculated Property |
| Pvap | 2691.64 | kPa | 624.00 | Calculated Property |
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