- InChI
- InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3/b7-6-,10-9-
- InChI Key
- YDTIDQXHYVFIKB-HZJYTTRNSA-N
- Formula
- C25H38O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCc1cc
ccc1 - Molecular Weight1
- 370.57
- CAS
- 47557-83-5
- Other Names
-
- Benzyl (9Z,12Z)-9,12-octadecadienoate
- Linoleic acid, phenylmethyl ester
- Benzyl linoleate
- Dermol 618
- 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° | 198.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.59 | kJ/mol | Joback Calculated Property |
| log10WS | -8.46 | Crippen Calculated Property | |
| logPoct/wat | 7.543 | Crippen Calculated Property | |
| McVol | 338.190 | ml/mol | McGowan Calculated Property |
| Pc | 1016.18 | kPa | Joback Calculated Property |
| Inp | [2764.50; 2764.50] |
|
|
| Inp | 2764.50 | NIST | |
| Inp | 2764.50 | NIST | |
| Tboil | 882.69 | K | Joback Calculated Property |
| Tc | 1085.61 | K | Joback Calculated Property |
| Tfus | 459.93 | K | Joback Calculated Property |
| Vc | 1.312 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1076.48; 1174.31] | J/mol×K | [882.69; 1085.61] |
|
| Cp,gas | 1076.48 | J/mol×K | 882.69 | Joback Calculated Property |
| Cp,gas | 1095.17 | J/mol×K | 916.51 | Joback Calculated Property |
| Cp,gas | 1112.79 | J/mol×K | 950.33 | Joback Calculated Property |
| Cp,gas | 1129.44 | J/mol×K | 984.15 | Joback Calculated Property |
| Cp,gas | 1145.19 | J/mol×K | 1017.97 | Joback Calculated Property |
| Cp,gas | 1160.12 | J/mol×K | 1051.79 | Joback Calculated Property |
| Cp,gas | 1174.31 | J/mol×K | 1085.61 | Joback Calculated Property |
| η | [0.0000282; 0.0006544] | Pa×s | [459.93; 882.69] |
|
| η | 0.0006544 | Pa×s | 459.93 | Joback Calculated Property |
| η | 0.0002737 | Pa×s | 530.39 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 600.85 | Joback Calculated Property |
| η | 0.0000829 | Pa×s | 671.31 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 741.77 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 812.23 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 882.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester.
Sources
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