- InChI
- InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
- InChI Key
- KDQIFKKWPMBNOH-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- COC(=O)CCCCCCCCCCCCCCC(C)C
- Molecular Weight1
- 298.50
- CAS
- 5129-61-3
- Other Names
-
- Methyl isostearate
- Methyl 16-methylheptadecanoate
- 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).
- 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).
- Inp : Non-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° | -127.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 6.277 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1120.05 | kPa | Joback Calculated Property |
| Inp | [2077.00; 2103.00] |
|
|
| Inp | 2077.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Inp | 2103.00 | NIST | |
| Inp | 2103.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Tboil | 709.97 | K | Joback Calculated Property |
| Tc | 880.96 | K | Joback Calculated Property |
| Tfus | 361.05 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.12; 952.60] | J/mol×K | [709.97; 880.96] |
|
| Cp,gas | 849.12 | J/mol×K | 709.97 | Joback Calculated Property |
| Cp,gas | 868.53 | J/mol×K | 738.47 | Joback Calculated Property |
| Cp,gas | 887.04 | J/mol×K | 766.97 | Joback Calculated Property |
| Cp,gas | 904.69 | J/mol×K | 795.46 | Joback Calculated Property |
| Cp,gas | 921.48 | J/mol×K | 823.96 | Joback Calculated Property |
| Cp,gas | 937.44 | J/mol×K | 852.46 | Joback Calculated Property |
| Cp,gas | 952.60 | J/mol×K | 880.96 | Joback Calculated Property |
| η | [0.0000774; 0.0023450] | Pa×s | [361.05; 709.97] |
|
| η | 0.0023450 | Pa×s | 361.05 | Joback Calculated Property |
| η | 0.0008954 | Pa×s | 419.20 | Joback Calculated Property |
| η | 0.0004323 | Pa×s | 477.36 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 535.51 | Joback Calculated Property |
| η | 0.0001546 | Pa×s | 593.66 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 651.82 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 709.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic acid, 16-methyl-, methyl ester.
Sources
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