- InChI
- InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
- InChI Key
- WAKCWJNDXBPEBP-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- COC(=O)CCCCCCCCCCCCC(C)C
- Molecular Weight1
- 270.45
- CAS
- 5129-60-2
- Other Names
-
- Methyl isohexadecanoate
- 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.
- 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° | -144.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 5.497 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | [1861.00; 1887.00] |
|
|
| Inp | 1877.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1884.00 | NIST | |
| Inp | 1887.00 | NIST | |
| Inp | 1861.00 | NIST | |
| I | 2166.00 | NIST | |
| Tboil | 664.21 | K | Joback Calculated Property |
| Tc | 833.82 | K | Joback Calculated Property |
| Tfus | 338.51 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.67; 832.34] | J/mol×K | [664.21; 833.82] |
|
| Cp,gas | 732.67 | J/mol×K | 664.21 | Joback Calculated Property |
| Cp,gas | 751.27 | J/mol×K | 692.48 | Joback Calculated Property |
| Cp,gas | 769.05 | J/mol×K | 720.75 | Joback Calculated Property |
| Cp,gas | 786.03 | J/mol×K | 749.02 | Joback Calculated Property |
| Cp,gas | 802.22 | J/mol×K | 777.28 | Joback Calculated Property |
| Cp,gas | 817.65 | J/mol×K | 805.55 | Joback Calculated Property |
| Cp,gas | 832.34 | J/mol×K | 833.82 | Joback Calculated Property |
| η | [0.0001003; 0.0028787] | Pa×s | [338.51; 664.21] |
|
| η | 0.0028787 | Pa×s | 338.51 | Joback Calculated Property |
| η | 0.0011177 | Pa×s | 392.79 | Joback Calculated Property |
| η | 0.0005461 | Pa×s | 447.08 | Joback Calculated Property |
| η | 0.0003116 | Pa×s | 501.36 | Joback Calculated Property |
| η | 0.0001983 | Pa×s | 555.64 | Joback Calculated Property |
| η | 0.0001368 | Pa×s | 609.93 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 664.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecanoic acid, 14-methyl-, methyl ester.
Sources
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