- InChI
- InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
- InChI Key
- XVSPEBNRFAFNAV-UHFFFAOYSA-N
- Formula
- C19H36O3
- SMILES
- CCCCCCC(=O)CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 312.49
- CAS
- 2380-27-0
- Other Names
-
- Methyl 12-ketostearate
- Methyl 12-oxostearate
- 12-Oxostearic acid, methyl ester
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.9452 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.600 | Crippen Calculated Property | |
| McVol | 287.580 | ml/mol | McGowan Calculated Property |
| Pc | 1162.45 | kPa | Joback Calculated Property |
| Tboil | 597.95 | K | Relay (1.0) Calculated Property |
| Tc | 783.72 | K | Relay (1.0) Calculated Property |
| Tfus | 329.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.098 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.43; 972.13] | J/mol×K | [764.28; 942.71] | 
|
| Cp,gas | 877.43 | J/mol×K | 764.28 | Joback Calculated Property |
| Cp,gas | 895.45 | J/mol×K | 794.02 | Joback Calculated Property |
| Cp,gas | 912.55 | J/mol×K | 823.76 | Joback Calculated Property |
| Cp,gas | 928.74 | J/mol×K | 853.50 | Joback Calculated Property |
| Cp,gas | 944.06 | J/mol×K | 883.24 | Joback Calculated Property |
| Cp,gas | 958.51 | J/mol×K | 912.98 | Joback Calculated Property |
| Cp,gas | 972.13 | J/mol×K | 942.71 | Joback Calculated Property |
| η | [0.0000815; 0.0013667] | Pa×s | [425.98; 764.28] |
|
| η | 0.0013667 | Pa×s | 425.98 | Joback Calculated Property |
| η | 0.0006490 | Pa×s | 482.36 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 538.75 | Joback Calculated Property |
| η | 0.0002235 | Pa×s | 595.13 | Joback Calculated Property |
| η | 0.0001506 | Pa×s | 651.51 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 707.90 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 764.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 452.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Octadecanoic acid, 12-oxo-, methyl ester.
Sources
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