- InChI
- InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13-
- InChI Key
- QRTVDKVXAFJVRU-YPKPFQOOSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCCCCCCC=CCCCCC(=O)OC
- Molecular Weight1
- 296.49
- CAS
- 2777-58-4
- Other Names
-
- Methyl cis-6-octadecenoate
- Methyl petroselinate
- cis-6-Octadecenoic acid, methyl ester
- methyl (Z)-octadec-6-enoate
- 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° | -44.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.49 | Crippen Calculated Property | |
| logPoct/wat | 6.197 | Crippen Calculated Property | |
| McVol | 281.710 | ml/mol | McGowan Calculated Property |
| Pc | 1153.78 | kPa | Joback Calculated Property |
| Inp | 2104.50 | NIST | |
| Tboil | 714.57 | K | Joback Calculated Property |
| Tc | 887.77 | K | Joback Calculated Property |
| Tfus | 370.97 | K | Joback Calculated Property |
| Vc | 1.103 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.19; 926.09] | J/mol×K | [714.57; 887.77] | 
|
| Cp,gas | 826.19 | J/mol×K | 714.57 | Joback Calculated Property |
| Cp,gas | 844.92 | J/mol×K | 743.44 | Joback Calculated Property |
| Cp,gas | 862.78 | J/mol×K | 772.30 | Joback Calculated Property |
| Cp,gas | 879.80 | J/mol×K | 801.17 | Joback Calculated Property |
| Cp,gas | 896.00 | J/mol×K | 830.04 | Joback Calculated Property |
| Cp,gas | 911.43 | J/mol×K | 858.90 | Joback Calculated Property |
| Cp,gas | 926.09 | J/mol×K | 887.77 | Joback Calculated Property |
| η | [0.0000724; 0.0017193] | Pa×s | [370.97; 714.57] |
|
| η | 0.0017193 | Pa×s | 370.97 | Joback Calculated Property |
| η | 0.0007124 | Pa×s | 428.24 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 485.50 | Joback Calculated Property |
| η | 0.0002137 | Pa×s | 542.77 | Joback Calculated Property |
| η | 0.0001390 | Pa×s | 600.04 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 657.30 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 714.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Octadecenoic acid, methyl ester, (Z)-.
Sources
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