Chemical Properties of Heptanoic acid, methyl ester (CAS 106-73-0)

Heptanoic acid, methyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChI Key
XNCNNDVCAUWAIT-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CCCCCCC(=O)OC
Molecular Weight1
144.21
CAS
106-73-0
Other Names
  • Methyl enanthate
  • Methyl ester of heptanoic acid
  • Methyl heptanoate
  • Methyl heptoate
  • Methyl n-heptanoate
  • Methyl n-heptylate
  • Methyl oenanthylate
  • enanthic acid, methyl ester
  • methyl oenanthate
  • oenanthic acid, methyl ester
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

Physical Properties

Property Value Unit Source
Δcliquid -4867.40 ± 0.80 kJ/mol NIST
Δf -217.44 kJ/mol Joback Calculated Property
Δfgas -517.00 ± 2.00 kJ/mol NIST
Δfliquid -567.10 ± 0.92 kJ/mol NIST
Δfus 19.26 kJ/mol Joback Calculated Property
Δvap [49.70; 53.70] kJ/mol Show Hide
Δvap 53.20 ± 0.20 kJ/mol NIST
Δvap 51.80 ± 0.10 kJ/mol NIST
Δvap 53.40 kJ/mol NIST
Δvap 53.70 kJ/mol NIST
Δvap 53.50 kJ/mol NIST
Δvap 49.70 ± 0.50 kJ/mol NIST
Δvap 53.10 ± 0.40 kJ/mol NIST
Δvap 53.10 ± 0.10 kJ/mol NIST
Δvap 51.62 ± 0.48 kJ/mol NIST
Δvap 51.60 ± 0.50 kJ/mol NIST
Δvap 50.00 ± 1.00 kJ/mol NIST
Δvap 50.10 kJ/mol NIST
log10WS -2.03 Crippen Calculated Property
logPoct/wat 2.130 Crippen Calculated Property
McVol 131.020 ml/mol McGowan Calculated Property
Pc 2657.03 kPa Joback Calculated Property
Inp [164.60; 1028.40]   Show Hide
Inp 1023.90 NIST
Inp 1023.30 NIST
Inp 1022.90 NIST
Inp 1005.00 NIST
Inp 1012.00 NIST
Inp 1002.00 NIST
Inp 1006.00 NIST
Inp 1011.00 NIST
Inp 1007.00 NIST
Inp 1026.00 NIST
Inp 1008.60 NIST
Inp 1008.10 NIST
Inp 1008.00 NIST
Inp 1027.70 NIST
Inp 1028.40 NIST
Inp 1021.00 NIST
Inp 1005.00 NIST
Inp 1004.00 NIST
Inp 1007.00 NIST
Inp 1007.00 NIST
Inp 1006.00 NIST
Inp 1026.00 NIST
Inp 1013.00 NIST
Inp 1013.00 NIST
Inp 1005.00 NIST
Inp 1009.00 NIST
Inp 1010.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1025.00 NIST
Inp 1005.00 NIST
Inp 1025.00 NIST
Inp 1021.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1014.00 NIST
Inp 1005.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1008.00 NIST
Inp Outlier 164.60 NIST
Inp 1006.00 NIST
Inp Outlier 164.60 NIST
Inp 1025.00 NIST
Inp 1008.00 NIST
Inp 1009.00 NIST
Inp 1023.90 NIST
Inp 1002.00 NIST
I [1241.00; 1327.00]   Show Hide
I Outlier 1241.00 NIST
I Outlier 1327.00 NIST
I 1281.00 NIST
I 1291.00 NIST
I 1301.00 NIST
I 1292.00 NIST
I 1299.00 NIST
I 1291.00 NIST
I 1282.00 NIST
I 1288.00 NIST
I 1296.00 NIST
I 1284.00 NIST
I 1273.00 NIST
I 1279.00 NIST
I 1273.00 NIST
I 1279.00 NIST
I 1279.00 NIST
I 1296.00 NIST
I 1276.00 NIST
I 1273.00 NIST
I 1302.00 NIST
I 1281.00 NIST
I 1291.00 NIST
I 1282.00 NIST
I 1296.00 NIST
I 1288.00 NIST
Tboil [445.20; 446.95] K Show Hide
Tboil 445.20 K NIST
Tboil 446.95 ± 0.30 K NIST
Tboil 445.30 ± 2.00 K NIST
Tc 633.80 K Joback Calculated Property
Tfus [217.40; 217.40] K Show Hide
Tfus 217.40 ± 0.05 K NIST
Tfus 217.40 ± 0.50 K NIST
Vc 0.507 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [279.70; 346.77] J/mol×K [458.73; 633.80] Show Hide
Cp,gas 279.70 J/mol×K 458.73 Joback Calculated Property
Cp,gas 291.94 J/mol×K 487.91 Joback Calculated Property
Cp,gas 303.75 J/mol×K 517.09 Joback Calculated Property
Cp,gas 315.14 J/mol×K 546.26 Joback Calculated Property
Cp,gas 326.10 J/mol×K 575.44 Joback Calculated Property
Cp,gas 336.64 J/mol×K 604.62 Joback Calculated Property
Cp,gas 346.77 J/mol×K 633.80 Joback Calculated Property
Cp,liquid [285.10; 316.90] J/mol×K [298.15; 373.15] Show Hide
Cp,liquid 285.10 J/mol×K 298.15 NIST
Cp,liquid 289.20 J/mol×K 303.15 Heat ca...
Cp,liquid 292.50 J/mol×K 313.15 Heat ca...
Cp,liquid 296.20 J/mol×K 323.15 Heat ca...
Cp,liquid 300.10 J/mol×K 333.15 Heat ca...
Cp,liquid 304.30 J/mol×K 343.15 Heat ca...
Cp,liquid 308.60 J/mol×K 353.15 Heat ca...
Cp,liquid 312.80 J/mol×K 363.15 Heat ca...
Cp,liquid 316.90 J/mol×K 373.15 Heat ca...
η [0.0008230; 0.0013200] Pa×s [283.15; 313.15] Show Hide
η 0.0013200 Pa×s 283.15 A Study...
η 0.0011120 Pa×s 293.15 A Study...
η 0.0010230 Pa×s 298.15 A Study...
η 0.0009500 Pa×s 303.15 A Study...
η 0.0008230 Pa×s 313.15 A Study...
ΔvapH [46.30; 50.20] kJ/mol [326.00; 432.50] Show Hide
ΔvapH 50.20 ± 0.10 kJ/mol 326.00 NIST
ΔvapH 49.10 kJ/mol 350.00 NIST
ΔvapH 49.00 kJ/mol 367.00 NIST
ΔvapH 46.30 kJ/mol 432.50 NIST
Pvap [0.03; 0.47] kPa [278.10; 313.20] Show Hide
Pvap 0.03 kPa 278.10 Transpi...
Pvap 0.05 kPa 283.50 Transpi...
Pvap 0.07 kPa 286.40 Transpi...
Pvap 0.08 kPa 288.30 Transpi...
Pvap 0.09 kPa 290.30 Transpi...
Pvap 0.12 kPa 293.20 Transpi...
Pvap 0.14 kPa 296.20 Transpi...
Pvap 0.16 kPa 298.20 Transpi...
Pvap 0.19 kPa 300.30 Transpi...
Pvap 0.23 kPa 303.10 Transpi...
Pvap 0.28 kPa 306.10 Transpi...
Pvap 0.33 kPa 308.20 Transpi...
Pvap 0.38 kPa 310.20 Transpi...
Pvap 0.47 kPa 313.20 Transpi...
n0 [1.38276; 1.41865]   [278.15; 358.15] Show Hide
n0 1.41865 278.15 Thermop...
n0 1.41643 283.15 Thermop...
n0 1.41421 288.15 Thermop...
n0 1.41199 293.15 Thermop...
n0 1.40945 298.15 Densiti...
n0 1.40976 298.15 Thermop...
n0 1.40945 298.15 Isobari...
n0 1.40753 303.15 Thermop...
n0 1.40530 308.15 Thermop...
n0 1.40301 313.15 Thermop...
n0 1.40070 318.15 Thermop...
n0 1.39841 323.15 Thermop...
n0 1.39614 328.15 Thermop...
n0 1.39389 333.15 Thermop...
n0 1.39167 338.15 Thermop...
n0 1.38946 343.15 Thermop...
n0 1.38724 348.15 Thermop...
n0 1.38501 353.15 Thermop...
n0 1.38276 358.15 Thermop...
ρl 875.61 kg/m3 298.15 Densiti...

Datasets

  1. Viscosity, Pa*s (1)
  2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
294.20 107.00 0.0011
294.13 4967.00 0.0012
293.85 9970.00 0.0012
293.58 14994.00 0.0013
292.87 19994.00 0.0014
292.56 25040.00 0.0014
292.04 30028.00 0.0015
303.15 102.00 0.0009
303.12 5011.00 0.0010
303.08 10026.00 0.0010
303.05 14993.00 0.0011
303.02 19985.00 0.0011
302.93 25017.00 0.0012
302.83 29961.00 0.0012
312.77 103.00 0.0008
312.78 5010.00 0.0009
312.65 10009.00 0.0009
312.66 15001.00 0.0010
312.62 20047.00 0.0010
312.57 25001.00 0.0010
312.49 29986.00 0.0011
322.33 96.00 0.0007
322.26 5004.00 0.0008
322.23 10018.00 0.0008
322.21 15004.00 0.0008
322.17 19955.00 0.0009
322.23 25027.00 0.0009
322.09 29925.00 0.0010
331.85 99.00 0.0006
331.78 5007.00 0.0007
331.78 9972.00 0.0007
331.74 15035.00 0.0008
331.67 19865.00 0.0008
331.68 25041.00 0.0008
331.56 30001.00 0.0009
341.67 96.00 0.0006
341.72 5062.00 0.0006
341.68 10141.00 0.0006
341.48 14961.00 0.0007
341.81 20048.00 0.0007
341.80 25032.00 0.0008
341.73 29980.00 0.0008
351.27 10077.00 0.0006
351.26 14966.00 0.0006
351.31 19977.00 0.0006
351.49 24997.00 0.0007
351.46 30010.00 0.0007
361.37 20002.00 0.0006
361.47 25022.00 0.0006
361.24 29993.00 0.0006
Reference

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
293.15 100.00 880.16
293.15 1000.00 880.29
293.15 3000.00 881.98
293.15 5000.00 883.19
293.15 10000.00 886.99
293.15 15000.00 890.49
293.15 20000.00 893.86
293.15 25000.00 897.18
293.15 30000.00 900.36
293.15 35000.00 903.34
293.15 40000.00 906.22
293.15 50000.00 912.14
293.15 60000.00 917.16
303.15 100.00 870.66
303.15 1000.00 871.46
303.15 3000.00 873.07
303.15 5000.00 874.66
303.15 10000.00 878.5
303.15 15000.00 882.18
303.15 20000.00 885.64
303.15 25000.00 889.08
303.15 30000.00 892.3
303.15 35000.00 895.46
303.15 40000.00 898.49
303.15 50000.00 904.43
303.15 60000.00 909.95
313.15 100.00 861.82
313.15 1000.00 862.16
313.15 3000.00 863.9
313.15 5000.00 865.62
313.15 10000.00 869.71
313.15 15000.00 873.55
313.15 20000.00 877.29
313.15 25000.00 880.89
313.15 30000.00 884.32
313.15 35000.00 887.66
313.15 40000.00 890.73
313.15 50000.00 896.98
313.15 60000.00 902.59
323.15 100.00 852.25
323.15 1000.00 853.12
323.15 3000.00 854.89
323.15 5000.00 856.64
323.15 10000.00 860.97
323.15 15000.00 865.07
323.15 20000.00 869.08
323.15 25000.00 872.69
323.15 30000.00 876.31
323.15 35000.00 879.74
323.15 40000.00 883.15
323.15 50000.00 889.53
323.15 60000.00 895.63
333.15 100.00 843.03
333.15 1000.00 843.81
333.15 3000.00 845.84
333.15 5000.00 847.68
333.15 10000.00 852.16
333.15 15000.00 856.43
333.15 20000.00 860.63
333.15 25000.00 864.64
333.15 30000.00 868.31
333.15 35000.00 871.91
333.15 40000.00 875.61
333.15 50000.00 882.2
333.15 60000.00 888.39
343.15 100.00 833.48
343.15 1000.00 834.64
343.15 3000.00 836.7
343.15 5000.00 838.79
343.15 10000.00 843.47
343.15 15000.00 848.02
343.15 20000.00 852.59
343.15 25000.00 856.55
343.15 30000.00 860.57
343.15 35000.00 864.43
343.15 40000.00 867.96
343.15 50000.00 875.0
343.15 60000.00 881.19
353.15 100.00 824.35
353.15 1000.00 825.27
353.15 3000.00 827.61
353.15 5000.00 829.66
353.15 10000.00 834.76
353.15 15000.00 839.63
353.15 20000.00 844.11
353.15 25000.00 848.48
353.15 30000.00 852.65
353.15 35000.00 856.65
353.15 40000.00 860.37
353.15 50000.00 867.57
353.15 60000.00 874.32
363.15 100.00 815.19
363.15 1000.00 816.36
363.15 3000.00 818.75
363.15 5000.00 821.0
363.15 10000.00 826.14
363.15 15000.00 831.57
363.15 20000.00 836.11
363.15 25000.00 840.56
363.15 30000.00 845.01
363.15 35000.00 849.23
363.15 40000.00 853.33
363.15 50000.00 860.82
363.15 60000.00 867.91
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [334.72; 471.89] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51732e+01
Coefficient B-4.00813e+03
Coefficient C-6.54580e+01
Temperature range, min.334.72
Temperature range, max.471.89
Pvap 1.33 kPa 334.72 Calculated Property
Pvap 2.96 kPa 349.96 Calculated Property
Pvap 6.06 kPa 365.20 Calculated Property
Pvap 11.57 kPa 380.44 Calculated Property
Pvap 20.82 kPa 395.68 Calculated Property
Pvap 35.56 kPa 410.93 Calculated Property
Pvap 58.05 kPa 426.17 Calculated Property
Pvap 91.09 kPa 441.41 Calculated Property
Pvap 138.00 kPa 456.65 Calculated Property
Pvap 202.64 kPa 471.89 Calculated Property

Similar Compounds

Tridecanoic acid, methyl ester. Nonadecanoic acid, methyl ester. Pentacosanoic acid, methyl ester. Heptadecanoic acid, methyl ester. Dodecanoic acid, methyl ester. methyl hentriacontanoate. Triacontanoic acid, methyl ester. Methyl stearate. Undecanoic acid, methyl ester. Tricosanoic acid, methyl ester. Heneicosanoic acid, methyl ester. methyl tetratriacontanoate. Nonanoic acid, methyl ester. Docosanoic acid, methyl ester. Heptacosanoic acid, methyl ester.

Find more compounds similar to Heptanoic acid, methyl ester.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.