- InChI
- InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
- InChI Key
- XIUXKAZJZFLLDQ-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 256.42
- CAS
- 7132-64-1
- Other Names
-
- 25:0, Me ester
- methyl n-pentadecanoate
- methyl pentadecanoate
- n-Pentadecanoic acid methyl ester
- pentadecanoic acid methyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.8223 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -10097.90 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -226.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.28 | kJ/mol | Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K |
| ΔvapH° | [88.00; 93.50] | kJ/mol |
|
| ΔvapH° | 89.30 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 88.80 | kJ/mol | NIST |
| ΔvapH° | 91.60 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 93.49 ± 0.94 | kJ/mol | NIST |
| ΔvapH° | 93.50 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 88.00 ± 1.00 | kJ/mol | NIST |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.251 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1323.28 | kPa | Joback Calculated Property |
| Inp | [305.23; 1827.00] |
|
|
| Inp | 1811.00 | NIST | |
| Inp | 1811.00 | NIST | |
| Inp | 1817.00 | NIST | |
| Inp | 1806.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Inp | 1820.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1824.50 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1824.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1820.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Inp | 1803.00 | NIST | |
| Inp | 1806.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | Outlier 314.60 | NIST | |
| Inp | Outlier 314.70 | NIST | |
| Inp | Outlier 305.43 | NIST | |
| Inp | Outlier 305.23 | NIST | |
| Inp | Outlier 305.23 | NIST | |
| Inp | 1806.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Inp | Outlier 305.23 | NIST | |
| Inp | Outlier 314.60 | NIST | |
| Inp | 1820.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1824.50 | NIST | |
| I | [2099.00; 2138.00] |
|
|
| I | 2107.00 | NIST | |
| I | Outlier 2138.00 | NIST | |
| I | 2108.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2108.00 | NIST | |
| I | 2124.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2108.00 | NIST | |
| I | 2099.00 | NIST | |
| I | 2099.00 | NIST | |
| I | 2108.00 | NIST | |
| I | 2107.00 | NIST | |
| I | 2102.00 | NIST | |
| Tboil | 557.84 | K | Relay (1.0) Calculated Property |
| Tc | 744.42 | K | Relay (1.0) Calculated Property |
| Tfus | [288.61; 380.30] | K |
|
| Tfus | 291.45 ± 0.30 | K | NIST |
| Tfus | 380.30 ± 0.20 | K | NIST |
| Tfus | 288.61 ± 0.15 | K | NIST |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.22; 764.51] | J/mol×K | [623.90; 788.70] |
|
| Cp,gas | 667.22 | J/mol×K | 623.90 | Joback Calculated Property |
| Cp,gas | 685.32 | J/mol×K | 651.37 | Joback Calculated Property |
| Cp,gas | 702.65 | J/mol×K | 678.83 | Joback Calculated Property |
| Cp,gas | 719.22 | J/mol×K | 706.30 | Joback Calculated Property |
| Cp,gas | 735.04 | J/mol×K | 733.77 | Joback Calculated Property |
| Cp,gas | 750.13 | J/mol×K | 761.24 | Joback Calculated Property |
| Cp,gas | 764.51 | J/mol×K | 788.70 | Joback Calculated Property |
| η | [0.0001106; 0.0037627] | Pa×s | [312.41; 623.90] |
|
| η | 0.0037627 | Pa×s | 312.41 | Joback Calculated Property |
| η | 0.0013752 | Pa×s | 364.32 | Joback Calculated Property |
| η | 0.0006461 | Pa×s | 416.24 | Joback Calculated Property |
| η | 0.0003589 | Pa×s | 468.15 | Joback Calculated Property |
| η | 0.0002242 | Pa×s | 520.07 | Joback Calculated Property |
| η | 0.0001525 | Pa×s | 571.98 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 623.90 | Joback Calculated Property |
| ΔvapH | [78.30; 90.70] | kJ/mol | [298.15; 463.50] |
|
| ΔvapH | 90.70 | kJ/mol | 298.15 | the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography |
| ΔvapH | 87.90 ± 1.30 | kJ/mol | 299.00 | NIST |
| ΔvapH | 82.10 | kJ/mol | 350.00 | NIST |
| ΔvapH | 79.80 ± 0.20 | kJ/mol | 372.00 | NIST |
| ΔvapH | 78.30 | kJ/mol | 463.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.70 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [431.52; 607.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48072e+01 | |||
| Coefficient B | -4.82665e+03 | |||
| Coefficient C | -9.90960e+01 | |||
| Temperature range, min. | 431.52 | |||
| Temperature range, max. | 607.40 | |||
| Pvap | 1.33 | kPa | 431.52 | Calculated Property |
| Pvap | 2.99 | kPa | 451.06 | Calculated Property |
| Pvap | 6.14 | kPa | 470.60 | Calculated Property |
| Pvap | 11.76 | kPa | 490.15 | Calculated Property |
| Pvap | 21.15 | kPa | 509.69 | Calculated Property |
| Pvap | 36.09 | kPa | 529.23 | Calculated Property |
| Pvap | 58.77 | kPa | 548.77 | Calculated Property |
| Pvap | 91.89 | kPa | 568.32 | Calculated Property |
| Pvap | 138.64 | kPa | 587.86 | Calculated Property |
| Pvap | 202.67 | kPa | 607.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecanoic acid, methyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- 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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