- InChI
- InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
- InChI Key
- HUEBIMLTDXKIPR-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 284.48
- CAS
- 1731-92-6
- Other Names
-
- 27:0, Me ester
- Margaric acid methyl ester
- Methyl heptadecanoate
- Methyl margarate
- methyl heptadecanoate (17:0)
- n-Heptadecanoic acid methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -133.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.90 | kJ/mol | Heat Ca... |
| ΔvapH° | [97.00; 100.80] | kJ/mol |
|
| ΔvapH° | 100.80 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 97.00 ± 1.20 | kJ/mol | NIST |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1189.06 | kPa | Joback Calculated Property |
| Inp | [336.55; 2037.00] |
|
|
| Inp | 2001.90 | NIST | |
| Inp | 2003.10 | NIST | |
| Inp | 2004.20 | NIST | |
| Inp | 2005.50 | NIST | |
| Inp | 2006.70 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2009.30 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Inp | 2011.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Inp | 2013.00 | NIST | |
| Inp | 2013.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2021.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 2026.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Inp | 2022.00 | NIST | |
| Inp | 2037.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Inp | 2029.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Inp | 2006.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Inp | Outlier 347.00 | NIST | |
| Inp | Outlier 347.10 | NIST | |
| Inp | Outlier 336.55 | NIST | |
| Inp | Outlier 336.74 | NIST | |
| Inp | Outlier 336.74 | NIST | |
| Inp | Outlier 336.74 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | Outlier 347.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2001.90 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Inp | 2006.00 | NIST | |
| I | [2295.00; 2344.00] |
|
|
| I | 2307.00 | NIST | |
| I | Outlier 2344.00 | NIST | |
| I | 2295.00 | NIST | |
| I | 2297.00 | NIST | |
| I | 2309.00 | NIST | |
| I | 2325.00 | NIST | |
| I | 2329.00 | NIST | |
| I | 2309.00 | NIST | |
| I | 2307.00 | NIST | |
| Tboil | 687.53 | K | Joback Calculated Property |
| Tc | 855.83 | K | Joback Calculated Property |
| Tfus | 302.25 ± 0.40 | K | NIST |
| Vc | 1.067 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.92; 890.54] | J/mol×K | [687.53; 855.83] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 780 800 820 840 860 880 900 700 750 800 850 | ||||
| Cp,gas | 789.92 | J/mol×K | 687.53 | Joback Calculated Property |
| Cp,gas | 808.70 | J/mol×K | 715.58 | Joback Calculated Property |
| Cp,gas | 826.65 | J/mol×K | 743.63 | Joback Calculated Property |
| Cp,gas | 843.80 | J/mol×K | 771.68 | Joback Calculated Property |
| Cp,gas | 860.14 | J/mol×K | 799.73 | Joback Calculated Property |
| Cp,gas | 875.72 | J/mol×K | 827.78 | Joback Calculated Property |
| Cp,gas | 890.54 | J/mol×K | 855.83 | Joback Calculated Property |
| η | [0.0000953; 0.0020226] | Pa×s | [364.78; 687.53] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 400 500 600 | ||||
| η | 0.0020226 | Pa×s | 364.78 | Joback Calculated Property |
| η | 0.0008765 | Pa×s | 418.57 | Joback Calculated Property |
| η | 0.0004595 | Pa×s | 472.36 | Joback Calculated Property |
| η | 0.0002749 | Pa×s | 526.15 | Joback Calculated Property |
| η | 0.0001809 | Pa×s | 579.95 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 633.74 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 687.53 | Joback Calculated Property |
| ΔfusH | 48.10 | kJ/mol | 304.20 | NIST |
| ΔvapH | [84.40; 100.80] | kJ/mol | [298.15; 473.00] |
|
| ΔvapH | 100.80 | kJ/mol | 298.15 | the vap... |
| ΔvapH | 89.30 | kJ/mol | 350.00 | NIST |
| ΔvapH | 89.00 ± 0.70 | kJ/mol | 353.00 | NIST |
| ΔvapH | 84.40 | kJ/mol | 473.00 | NIST |
| Pvap | [2.59e-04; 0.06] | kPa | [337.90; 412.20] |
|
|
T(K) Vapor pressure (kPa) 0 0.01 0.02 0.03 0.04 0.05 0.06 340 360 380 400 | ||||
| Pvap | 2.59e-04 | kPa | 337.90 | Fatty a... |
| Pvap | 2.98e-04 | kPa | 339.75 | Fatty a... |
| Pvap | 3.71e-04 | kPa | 341.80 | Fatty a... |
| Pvap | 3.95e-04 | kPa | 342.85 | Fatty a... |
| Pvap | 5.32e-04 | kPa | 345.85 | Fatty a... |
| Pvap | 6.85e-04 | kPa | 347.95 | Fatty a... |
| Pvap | 8.03e-04 | kPa | 350.00 | Fatty a... |
| Pvap | 1.14e-03 | kPa | 354.30 | Fatty a... |
| Pvap | 1.44e-03 | kPa | 357.50 | Fatty a... |
| Pvap | 1.95e-03 | kPa | 360.60 | Fatty a... |
| Pvap | 2.06e-03 | kPa | 362.50 | Fatty a... |
| Pvap | 2.72e-03 | kPa | 365.25 | Fatty a... |
| Pvap | 3.01e-03 | kPa | 366.85 | Fatty a... |
| Pvap | 3.77e-03 | kPa | 369.00 | Fatty a... |
| Pvap | 4.64e-03 | kPa | 372.30 | Fatty a... |
| Pvap | 5.80e-03 | kPa | 376.20 | Fatty a... |
| Pvap | 7.72e-03 | kPa | 379.20 | Fatty a... |
| Pvap | 8.90e-03 | kPa | 382.25 | Fatty a... |
| Pvap | 0.01 | kPa | 385.65 | Fatty a... |
| Pvap | 0.01 | kPa | 387.00 | Fatty a... |
| Pvap | 0.02 | kPa | 389.25 | Fatty a... |
| Pvap | 0.02 | kPa | 391.30 | Fatty a... |
| Pvap | 0.02 | kPa | 393.40 | Fatty a... |
| Pvap | 0.02 | kPa | 396.20 | Fatty a... |
| Pvap | 0.03 | kPa | 399.20 | Fatty a... |
| Pvap | 0.04 | kPa | 402.35 | Fatty a... |
| Pvap | 0.04 | kPa | 405.30 | Fatty a... |
| Pvap | 0.05 | kPa | 408.15 | Fatty a... |
| Pvap | 0.06 | kPa | 412.20 | Fatty a... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [477.80; 627.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.74700e+01 | |||
| Coefficient B | -6.23670e+03 | |||
| Coefficient C | -1.14830e+02 | |||
| Temperature range, min. | 477.80 | |||
| Temperature range, max. | 627.78 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 | ||||
| Pvap | 1.33 | kPa | 477.80 | Calculated Property |
| Pvap | 2.83 | kPa | 494.46 | Calculated Property |
| Pvap | 5.66 | kPa | 511.13 | Calculated Property |
| Pvap | 10.67 | kPa | 527.79 | Calculated Property |
| Pvap | 19.17 | kPa | 544.46 | Calculated Property |
| Pvap | 32.97 | kPa | 561.12 | Calculated Property |
| Pvap | 54.52 | kPa | 577.79 | Calculated Property |
| Pvap | 87.06 | kPa | 594.45 | Calculated Property |
| Pvap | 134.73 | kPa | 611.12 | Calculated Property |
| Pvap | 202.66 | kPa | 627.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic acid, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
- the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
- Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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