- InChI
- InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-
- InChI Key
- XEIOPEQGDSYOIH-MURFETPASA-N
- Formula
- C21H38O2
- SMILES
- CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C
- Molecular Weight1
- 322.53
- CAS
- 22882-95-7
- Other Names
-
- 9,12-Octadecadienoic acid (Z,Z)-, 1-methylethyl ester
- Ceraphyl IPL
- isopropyl (9Z,12Z)-octadeca-9,12-dienoate
- 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).
- 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° | 50.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.02 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 6.752 | Crippen Calculated Property | |
| McVol | 305.590 | ml/mol | McGowan Calculated Property |
| Pc | 1056.88 | kPa | Joback Calculated Property |
| Tboil | 764.05 | K | Joback Calculated Property |
| Tc | 944.91 | K | Joback Calculated Property |
| Tfus | 373.43 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [922.28; 1024.19] | J/mol×K | [764.05; 944.91] | 
|
| Cp,gas | 922.28 | J/mol×K | 764.05 | Joback Calculated Property |
| Cp,gas | 941.47 | J/mol×K | 794.19 | Joback Calculated Property |
| Cp,gas | 959.72 | J/mol×K | 824.34 | Joback Calculated Property |
| Cp,gas | 977.08 | J/mol×K | 854.48 | Joback Calculated Property |
| Cp,gas | 993.57 | J/mol×K | 884.62 | Joback Calculated Property |
| Cp,gas | 1009.26 | J/mol×K | 914.76 | Joback Calculated Property |
| Cp,gas | 1024.19 | J/mol×K | 944.91 | Joback Calculated Property |
| η | [0.0000443; 0.0016597] | Pa×s | [373.43; 764.05] |
|
| η | 0.0016597 | Pa×s | 373.43 | Joback Calculated Property |
| η | 0.0005796 | Pa×s | 438.53 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 503.64 | Joback Calculated Property |
| η | 0.0001456 | Pa×s | 568.74 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 633.84 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 698.95 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 764.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl linoleate.
Sources
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