- InChI
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
- InChI Key
- CNVZJPUDSLNTQU-SEYXRHQNSA-N
- Formula
- C18H34O2
- SMILES
- CCCCCCCCCCCC=CCCCCC(=O)O
- Molecular Weight1
- 282.46
- CAS
- 593-39-5
- Other Names
-
- cis- -6-Octadecenoic acid
- (Z)-Octadec-6-enoic acid
- Petroselinic acid
- cis- -12,«delta»-6-Octadecenoic acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | -84.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.05 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen Calculated Property | |
| logPoct/wat | 6.109 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Tboil | 761.45 | K | Joback Calculated Property |
| Tc | 937.21 | K | Joback Calculated Property |
| Tfus | 301.65 | K | NIST |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.35; 899.26] | J/mol×K | [761.45; 937.21] | 
|
| Cp,gas | 811.35 | J/mol×K | 761.45 | Joback Calculated Property |
| Cp,gas | 827.83 | J/mol×K | 790.74 | Joback Calculated Property |
| Cp,gas | 843.52 | J/mol×K | 820.04 | Joback Calculated Property |
| Cp,gas | 858.48 | J/mol×K | 849.33 | Joback Calculated Property |
| Cp,gas | 872.72 | J/mol×K | 878.62 | Joback Calculated Property |
| Cp,gas | 886.31 | J/mol×K | 907.92 | Joback Calculated Property |
| Cp,gas | 899.26 | J/mol×K | 937.21 | Joback Calculated Property |
| η | [0.0000210; 0.0023727] | Pa×s | [398.29; 761.45] |
|
| η | 0.0023727 | Pa×s | 398.29 | Joback Calculated Property |
| η | 0.0006419 | Pa×s | 458.82 | Joback Calculated Property |
| η | 0.0002355 | Pa×s | 519.34 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 579.87 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 640.40 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 700.92 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 761.45 | Joback Calculated Property |
| ΔfusH | [47.50; 59.90] | kJ/mol | [302.30; 303.70] |
|
| ΔfusH | 59.90 | kJ/mol | 302.30 | NIST |
| ΔfusH | 47.50 | kJ/mol | 303.65 | NIST |
| ΔfusH | 47.50 | kJ/mol | 303.70 | NIST |
| ΔfusS | 156.40 | J/mol×K | 303.65 | NIST |
Similar Compounds
Find more compounds similar to 6-Octadecenoic acid, (Z)-.
Sources
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