Chemical Properties of 2-Heptanol (CAS 543-49-7)

2-Heptanol

InChI
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChI Key
CETWDUZRCINIHU-UHFFFAOYSA-N
Formula
C7H16O
SMILES
CCCCCC(C)O
Molecular Weight1
116.20
CAS
543-49-7
Other Names
  • 1-Methylhexanol
  • 2-Heptyl alcohol
  • 2-hydroxyheptane
  • Amyl methyl carbinol
  • CH3(CH2)4CHOHCH3
  • Heptan-2-ol
  • Heptanol-2
  • NSC 2220
  • amylmethylcarbinol
  • methyl amyl carbinol
  • methylpentylcarbinol
  • n-Heptan-2-ol
  • s-Heptyl alcohol
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Physical Properties

Property Value Unit Source
ω 0.5784 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Cp,liquid 298.64 J/mol×K Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
η 0.0053460 Pa×s Speeds of sound, isentropic compressibilities, viscosities and excess molar volumes of binary mixtures of methylcyclohexane + 2-alkanols or ethanol at T = 298.15 K
ΔfG° -131.20 kJ/mol Joback Calculated Property
ΔfH°gas -355.40 ± 2.10 kJ/mol NIST
ΔfH°liquid -416.90 ± 0.67 kJ/mol NIST
ΔfusH° 14.45 kJ/mol Joback Calculated Property
ΔvapH° 62.10 ± 0.40 kJ/mol NIST
IE [9.70; 10.24] eV Show Hide
IE 9.70 ± 0.03 eV NIST
IE 10.24 eV NIST
log10WS [-1.55; -1.55]   Show Hide
log10WS -1.55 Aq. Solubility Prediction
log10WS -1.55 Estimated Solubility
logPoct/wat 1.948 Crippen Calculated Property
McVol 115.360 ml/mol McGowan Calculated Property
Pc [3020.00; 3021.01] kPa Show Hide
Pc 3021.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Pc 3021.01 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3021.00 kPa KDB
Pc Outlier 3020.00 ± 20.00 kPa NIST
Pc 3021.00 ± 20.00 kPa NIST
Pc 3021.00 ± 20.00 kPa NIST
ρc [262.61; 262.61] kg/m3 Show Hide
ρc 262.61 ± 2.32 kg/m3 NIST
ρc 262.61 ± 19.75 kg/m3 NIST
Inp [142.33; 924.00]   Show Hide
Inp 882.30 NIST
Inp 888.40 NIST
Inp 890.00 NIST
Inp 868.00 NIST
Inp 877.00 NIST
Inp 889.00 NIST
Inp 888.00 NIST
Inp 886.00 NIST
Inp 887.00 NIST
Inp 886.00 NIST
Inp 882.00 NIST
Inp 888.00 NIST
Inp 904.00 NIST
Inp 883.00 NIST
Inp 883.00 NIST
Inp 888.00 NIST
Inp 888.00 NIST
Inp 921.00 NIST
Inp 924.00 NIST
Inp 904.00 NIST
Inp 877.00 NIST
Inp 882.50 NIST
Inp 884.00 NIST
Inp 885.00 NIST
Inp 887.00 NIST
Inp 887.00 NIST
Inp 901.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 888.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 884.00 NIST
Inp 886.00 NIST
Inp 886.00 NIST
Inp 897.00 NIST
Inp 896.00 NIST
Inp 892.00 NIST
Inp 901.40 NIST
Inp 905.00 NIST
Inp 906.00 NIST
Inp 908.00 NIST
Inp 886.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 903.00 NIST
Inp 903.00 NIST
Inp 896.00 NIST
Inp 888.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 911.00 NIST
Inp 885.00 NIST
Inp 890.00 NIST
Inp 887.00 NIST
Inp 915.00 NIST
Inp 905.10 NIST
Inp 906.00 NIST
Inp 893.00 NIST
Inp 903.00 NIST
Inp 880.00 NIST
Inp 880.00 NIST
Inp 880.00 NIST
Inp 881.00 NIST
Inp 888.00 NIST
Inp 888.00 NIST
Inp 898.00 NIST
Inp 919.00 NIST
Inp 881.00 NIST
Inp 881.00 NIST
Inp 894.00 NIST
Inp 881.00 NIST
Inp 889.00 NIST
Inp 901.00 NIST
Inp 908.00 NIST
Inp 889.00 NIST
Inp 894.00 NIST
Inp 875.00 NIST
Inp 889.00 NIST
Inp 906.00 NIST
Inp 918.00 NIST
Inp 879.00 NIST
Inp 904.00 NIST
Inp 909.00 NIST
Inp 915.00 NIST
Inp 903.00 NIST
Inp 889.00 NIST
Inp 896.00 NIST
Inp 902.00 NIST
Inp 889.00 NIST
Inp 880.00 NIST
Inp 889.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 888.00 NIST
Inp 906.00 NIST
Inp 897.00 NIST
Inp 886.00 NIST
Inp 900.00 NIST
Inp 879.00 NIST
Inp 894.00 NIST
Inp 882.00 NIST
Inp 906.00 NIST
Inp Outlier 142.33 NIST
Inp 882.30 NIST
Inp 889.00 NIST
Ip [1280.00; 1344.00]   Show Hide
Ip 1294.00 NIST
Ip 1307.00 NIST
Ip 1319.00 NIST
Ip 1319.00 NIST
Ip 1325.00 NIST
Ip Outlier 1285.00 NIST
Ip 1327.00 NIST
Ip 1335.00 NIST
Ip 1318.00 NIST
Ip 1298.00 NIST
Ip 1301.00 NIST
Ip 1321.00 NIST
Ip 1322.00 NIST
Ip 1321.00 NIST
Ip 1296.00 NIST
Ip 1327.00 NIST
Ip 1303.00 NIST
Ip 1318.00 NIST
Ip 1308.00 NIST
Ip 1318.00 NIST
Ip 1321.00 NIST
Ip 1324.00 NIST
Ip 1325.00 NIST
Ip 1323.00 NIST
Ip 1290.00 NIST
Ip 1334.00 NIST
Ip 1332.00 NIST
Ip 1326.00 NIST
Ip 1331.00 NIST
Ip 1344.00 NIST
Ip 1310.00 NIST
Ip 1333.00 NIST
Ip 1335.00 NIST
Ip 1312.00 NIST
Ip 1334.00 NIST
Ip 1324.00 NIST
Ip 1328.00 NIST
Ip 1315.00 NIST
Ip 1313.00 NIST
Ip 1312.00 NIST
Ip 1316.00 NIST
Ip 1316.00 NIST
Ip Outlier 1286.00 NIST
Ip 1328.00 NIST
Ip 1318.00 NIST
Ip 1319.00 NIST
Ip 1320.00 NIST
Ip 1320.00 NIST
Ip 1310.00 NIST
Ip 1326.00 NIST
Ip 1344.00 NIST
Ip 1322.00 NIST
Ip 1334.00 NIST
Ip 1326.00 NIST
Ip 1321.00 NIST
Ip 1332.00 NIST
Ip 1332.00 NIST
Ip 1332.00 NIST
Ip Outlier 1280.00 NIST
Ip 1304.00 NIST
Ip 1318.00 NIST
Ip 1311.00 NIST
Ip Outlier 1284.00 NIST
Ip 1322.00 NIST
Ip 1315.00 NIST
Ip 1290.00 NIST
Ip 1290.00 NIST
Ip 1318.00 NIST
Ip 1318.00 NIST
Ip 1326.00 NIST
Ip 1334.00 NIST
Ip 1334.00 NIST
Ip 1334.00 NIST
Ip 1334.00 NIST
Ip 1336.00 NIST
Ip 1318.00 NIST
Ip 1300.00 NIST
Ip 1312.00 NIST
Ip 1335.00 NIST
Ip 1326.00 NIST
Ip 1334.00 NIST
Ip 1304.00 NIST
Ip 1322.00 NIST
Ip 1324.00 NIST
Ip 1320.00 NIST
Ip Outlier 1284.00 NIST
Ip 1293.00 NIST
Ip 1318.00 NIST
Ip 1320.00 NIST
Ip Outlier 1286.00 NIST
Ip 1318.00 NIST
Ip 1318.00 NIST
Ip 1325.00 NIST
Ip 1298.00 NIST
Ip 1296.00 NIST
Ip 1318.00 NIST
Ip 1290.00 NIST
Tboil [429.40; 434.20] K Show Hide
Tboil 432.00 K KDB
Tboil 434.20 K NIST
Tboil 431.15 ± 3.00 K NIST
Tboil 432.65 ± 2.00 K NIST
Tboil 433.55 ± 0.50 K NIST
Tboil 432.85 ± 0.50 K NIST
Tboil 432.55 ± 1.00 K NIST
Tboil 434.15 ± 1.00 K NIST
Tboil 429.65 ± 3.00 K NIST
Tboil 431.85 ± 0.50 K NIST
Tboil 429.40 ± 3.00 K NIST
Tboil 432.15 ± 2.00 K NIST
Tboil 430.65 ± 3.00 K NIST
Tboil 434.15 ± 3.00 K NIST
Tc [608.30; 611.40] K Show Hide
Tc 608.30 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Tc 608.30 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 608.30 K KDB
Tc 608.30 ± 0.60 K NIST
Tc 608.60 ± 0.60 K NIST
Tc 608.30 ± 0.60 K NIST
Tc 608.38 K NIST
Tc Outlier 611.40 ± 0.25 K NIST
Tfus 243.00 K KDB
Vc [0.442; 0.442] m3/kmol Show Hide
Vc 0.442 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Vc 0.442 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.442 m3/kmol KDB
Vc 0.442 m3/kmol NIST
Zc [0.2640000; 0.2640090]   Show Hide
Zc 0.2640000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Zc 0.2640090 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
η [0.0028520; 0.0050230] Pa×s [298.15; 313.15] Show Hide
η 0.0050030 Pa×s 298.15 Densities and viscosities of binary mixtures of ethylmethylketone and 2-alkanols; application of the ERAS model and cubic EOS
η 0.0050230 Pa×s 298.15 Densities and Viscosities of Binary Mixtures of Cyclohexanone and 2-Alkanols
η 0.0041520 Pa×s 303.15 Densities and viscosities of binary mixtures of ethylmethylketone and 2-alkanols; application of the ERAS model and cubic EOS
η 0.0041510 Pa×s 303.15 Densities and Viscosities of Binary Mixtures of Cyclohexanone and 2-Alkanols
η 0.0034780 Pa×s 308.15 Densities and viscosities of binary mixtures of ethylmethylketone and 2-alkanols; application of the ERAS model and cubic EOS
η 0.0034780 Pa×s 308.15 Densities and Viscosities of Binary Mixtures of Cyclohexanone and 2-Alkanols
η 0.0028530 Pa×s 313.15 Densities and viscosities of binary mixtures of ethylmethylketone and 2-alkanols; application of the ERAS model and cubic EOS
η 0.0028520 Pa×s 313.15 Densities and Viscosities of Binary Mixtures of Cyclohexanone and 2-Alkanols
ΔvapH [51.60; 66.10] kJ/mol [291.00; 394.00] Show Hide
ΔvapH 66.10 kJ/mol 291.00 NIST
ΔvapH 59.80 kJ/mol 378.00 NIST
ΔvapH 54.40 kJ/mol 392.00 NIST
ΔvapH 51.60 kJ/mol 394.00 NIST
n0 [1.41430; 1.42060]   [293.15; 308.15] Show Hide
n0 1.42060 293.15 Densities, viscosities, excess molar volumes, and refractive indices of acetonitrile and 2-alkanols binary mixtures at different temperatures: Experimental results and application of the Prigogine Flory Patterson theory
n0 1.41880 298.15 Densities, viscosities, excess molar volumes, and refractive indices of acetonitrile and 2-alkanols binary mixtures at different temperatures: Experimental results and application of the Prigogine Flory Patterson theory
n0 1.41880 298.15 Densities, Viscosities, and Refractive Indices of Binary Mixtures of Acetophenone and 2-Alkanols
n0 1.41650 303.15 Densities, viscosities, excess molar volumes, and refractive indices of acetonitrile and 2-alkanols binary mixtures at different temperatures: Experimental results and application of the Prigogine Flory Patterson theory
n0 1.41430 308.15 Densities, viscosities, excess molar volumes, and refractive indices of acetonitrile and 2-alkanols binary mixtures at different temperatures: Experimental results and application of the Prigogine Flory Patterson theory
ρl [789.38; 813.74] kg/m3 [298.15; 328.15] Show Hide
ρl 813.20 kg/m3 298.15 Thermodynamic Properties of Binary Mixtures Containing N,N-Dimethylacetamide + 2-Alkanol: Experimental Data and Modeling
ρl 813.74 kg/m3 298.15 Study of thermodynamic and transport properties of binary liquid mixtures of n-decane with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 K. Experimental results and application of the Prigogine-Flory-Patterson theory
ρl 813.38 kg/m3 298.15 Densities and viscosities of the mixtures (formamide + 2-alkanol): Experimental and theoretical approaches
ρl 813.74 kg/m3 298.15 Densities, viscosities and ultrasonic velocities of binary mixtures of methylbenzene with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 and 308.15K
ρl 813.36 kg/m3 298.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 809.50 kg/m3 303.15 Densities and viscosities of the mixtures (formamide + 2-alkanol): Experimental and theoretical approaches
ρl 809.50 kg/m3 303.15 Thermodynamic Properties of Binary Mixtures Containing N,N-Dimethylacetamide + 2-Alkanol: Experimental Data and Modeling
ρl 804.88 kg/m3 308.15 Densities, viscosities and ultrasonic velocities of binary mixtures of methylbenzene with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 and 308.15K
ρl 805.72 kg/m3 308.15 Densities and viscosities of the mixtures (formamide + 2-alkanol): Experimental and theoretical approaches
ρl 805.72 kg/m3 308.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 805.70 kg/m3 308.15 Thermodynamic Properties of Binary Mixtures Containing N,N-Dimethylacetamide + 2-Alkanol: Experimental Data and Modeling
ρl 801.46 kg/m3 313.15 Densities and viscosities of the mixtures (formamide + 2-alkanol): Experimental and theoretical approaches
ρl 801.50 kg/m3 313.15 Thermodynamic Properties of Binary Mixtures Containing N,N-Dimethylacetamide + 2-Alkanol: Experimental Data and Modeling
ρl 797.65 kg/m3 318.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 789.38 kg/m3 328.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
313.16 1003.00 802.5
313.16 2005.00 803.3
313.16 3002.00 804.0
313.16 4013.00 804.8
313.16 5001.00 805.5
313.16 5991.00 806.2
313.16 6993.00 806.9
313.16 7994.00 807.7
313.16 9011.00 808.4
313.16 9995.00 809.1
313.16 10990.00 809.8
313.16 11988.00 810.5
313.16 13003.00 811.2
313.16 13988.00 811.9
313.16 14992.00 812.6
313.16 15990.00 813.2
313.16 17012.00 813.9
313.16 17987.00 814.5
313.16 18982.00 815.2
313.16 20004.00 815.9
313.16 20996.00 816.5
313.16 21989.00 817.2
323.09 1026.00 794.4
323.09 2006.00 795.2
323.09 3018.00 796.0
323.09 4017.00 796.8
323.09 5005.00 797.5
323.09 6018.00 798.3
323.09 7002.00 799.1
323.09 8003.00 799.8
323.09 9017.00 800.6
323.09 10017.00 801.3
323.09 10994.00 802.0
323.09 11998.00 802.8
323.09 13028.00 803.5
323.09 13997.00 804.2
323.09 15005.00 804.9
323.09 16003.00 805.6
323.09 17013.00 806.3
323.09 18009.00 807.0
323.09 19003.00 807.6
323.09 20006.00 808.3
323.09 20998.00 808.9
323.09 22011.00 809.6
333.05 1047.00 786.1
333.05 2009.00 787.0
333.05 3005.00 787.8
333.05 4010.00 788.7
333.05 5015.00 789.5
333.05 6018.00 790.3
333.05 7022.00 791.1
333.05 8012.00 791.9
333.05 9031.00 792.8
333.05 10017.00 793.5
333.05 11080.00 794.3
333.05 12039.00 795.1
333.05 13026.00 795.8
333.05 14017.00 796.6
333.05 15024.00 797.3
333.05 16018.00 798.1
333.05 17020.00 798.8
333.05 18019.00 799.5
333.05 19029.00 800.2
333.05 20016.00 800.9
333.05 21037.00 801.7
333.05 22015.00 802.4
342.96 971.00 777.4
342.96 2038.00 778.5
342.96 3013.00 779.3
342.96 4034.00 780.2
342.96 5024.00 781.1
342.96 6033.00 782.0
342.96 7015.00 782.9
342.96 8023.00 783.8
342.96 9025.00 784.7
342.96 10020.00 785.4
342.96 11029.00 786.3
342.96 12020.00 787.1
342.96 13030.00 787.9
342.96 14039.00 788.7
342.96 15023.00 789.5
342.96 16026.00 790.3
342.96 17026.00 791.1
342.96 18034.00 791.9
342.96 19026.00 792.7
342.96 20040.00 793.5
342.96 21031.00 794.2
342.96 22028.00 795.0
352.85 1038.00 769.0
352.85 2045.00 770.0
352.85 3019.00 770.9
352.85 4058.00 771.9
352.85 5028.00 772.8
352.85 6028.00 773.7
352.85 7037.00 774.7
352.85 8022.00 775.5
352.85 9078.00 776.5
352.85 10037.00 777.3
352.85 11042.00 778.2
352.85 12042.00 779.0
352.85 13042.00 779.9
352.85 14040.00 780.8
352.85 15042.00 781.6
352.85 16053.00 782.5
352.85 17058.00 783.3
352.85 18042.00 784.1
352.85 19040.00 784.9
352.85 20070.00 785.7
352.85 21055.00 786.5
352.85 22050.00 787.3
362.72 1043.00 760.1
362.72 2049.00 761.2
362.72 3066.00 762.2
362.72 4062.00 763.2
362.72 5041.00 764.2
362.72 6045.00 765.2
362.72 7046.00 766.2
362.72 8042.00 767.2
362.72 9058.00 768.1
362.72 10038.00 769.0
362.72 11054.00 770.0
362.72 12046.00 770.9
362.72 13054.00 771.8
362.72 14048.00 772.7
362.72 15049.00 773.6
362.72 16050.00 774.5
362.72 17070.00 775.4
362.72 18065.00 776.2
362.72 19060.00 777.1
362.72 20081.00 777.9
362.72 21068.00 778.8
362.72 22063.00 779.6
Reference

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [166.17; 399.67] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.34000e-01
Coefficient B7.08740e-01
Coefficient C-3.90600e-04
Coefficient D8.14000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 166.17 J/mol×K 273.00 Calculated Property
Cp,gas 205.59 J/mol×K 353.78 Calculated Property
Cp,gas 241.04 J/mol×K 434.56 Calculated Property
Cp,gas 272.78 J/mol×K 515.33 Calculated Property
Cp,gas 301.07 J/mol×K 596.11 Calculated Property
Cp,gas 326.15 J/mol×K 676.89 Calculated Property
Cp,gas 348.30 J/mol×K 757.67 Calculated Property
Cp,gas 367.76 J/mol×K 838.44 Calculated Property
Cp,gas 384.80 J/mol×K 919.22 Calculated Property
Cp,gas 399.67 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [335.65; 456.45] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38938e+01
Coefficient B-2.80782e+03
Coefficient C-1.29285e+02
Temperature range, min.335.65
Temperature range, max.456.45
Pvap 1.33 kPa 335.65 Calculated Property
Pvap 3.06 kPa 349.07 Calculated Property
Pvap 6.38 kPa 362.49 Calculated Property
Pvap 12.29 kPa 375.92 Calculated Property
Pvap 22.12 kPa 389.34 Calculated Property
Pvap 37.59 kPa 402.76 Calculated Property
Pvap 60.76 kPa 416.18 Calculated Property
Pvap 94.10 kPa 429.61 Calculated Property
Pvap 140.38 kPa 443.03 Calculated Property
Pvap 202.65 kPa 456.45 Calculated Property
Pvap [8.06e-04; 2994.69] kPa [243.00; 588.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.14758e+02
Coefficient B-1.04894e+04
Coefficient C-1.44255e+01
Coefficient D8.88948e-06
Coefficient E0.00000e+00
Temperature range, min.243.00
Temperature range, max.588.00
Pvap 8.06e-04 kPa 243.00 Calculated Property
Pvap 0.04 kPa 281.33 Calculated Property
Pvap 0.71 kPa 319.67 Calculated Property
Pvap 5.86 kPa 358.00 Calculated Property
Pvap 29.69 kPa 396.33 Calculated Property
Pvap 107.38 kPa 434.67 Calculated Property
Pvap 305.58 kPa 473.00 Calculated Property
Pvap 732.16 kPa 511.33 Calculated Property
Pvap 1548.95 kPa 549.67 Calculated Property
Pvap 2994.69 kPa 588.00 Calculated Property

Similar Compounds

2-Heptanol, (R)-. 2-Heptanol, (S)-. 2-PENTADECANOL. 2-Nonadecanol. 2-Tridecanol. 2-Dodecanol. 2-Heptadecanol. 2-Octanol, (R)-. 2-Nonanol. 2-Tetradecanol. 2-Decanol. 2-Eicosanol. 2-Hexadecanol. 2-Octanol, (S)-. 2-Undecanol.

Find more compounds similar to 2-Heptanol.

Mixtures

Sources

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