- 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.
- Ip : 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.
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.
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 | |
| Ip | [2099.00; 2138.00] |
|
|
| Ip | 2107.00 | NIST | |
| Ip | Outlier 2138.00 | NIST | |
| Ip | 2108.00 | NIST | |
| Ip | 2102.00 | NIST | |
| Ip | 2108.00 | NIST | |
| Ip | 2124.00 | NIST | |
| Ip | 2102.00 | NIST | |
| Ip | 2102.00 | NIST | |
| Ip | 2108.00 | NIST | |
| Ip | 2099.00 | NIST | |
| Ip | 2099.00 | NIST | |
| Ip | 2108.00 | NIST | |
| Ip | 2107.00 | NIST | |
| Ip | 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 | 291.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| 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 |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [361.24; 852.89] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.37530e+01 | |||
| Coefficient B | 1.46904e+00 | |||
| Coefficient C | -7.52000e-04 | |||
| Coefficient D | 1.22100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 587.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 648.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 701.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 788.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 823.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 852.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037128; 0.0001753] | Pa×s | [313.00; 552.09] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.26461e+01 | |||
| Coefficient B | 2.20672e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 313.00 | |||
| Temperature range, max. | 552.09 | |||
| η | 0.0037128 | Pa×s | 313.00 | Calculated Property |
| η | 0.0021387 | Pa×s | 339.57 | Calculated Property |
| η | 0.0013347 | Pa×s | 366.13 | Calculated Property |
| η | 0.0008878 | Pa×s | 392.70 | Calculated Property |
| η | 0.0006218 | Pa×s | 419.26 | Calculated Property |
| η | 0.0004544 | Pa×s | 445.83 | Calculated Property |
| η | 0.0003440 | Pa×s | 472.40 | Calculated Property |
| η | 0.0002683 | Pa×s | 498.96 | Calculated Property |
| η | 0.0002145 | Pa×s | 525.53 | Calculated Property |
| η | 0.0001753 | Pa×s | 552.09 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [431.52; 607.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.