- 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
- 4712-34-9
- Other Names
-
- Petroselenic acid
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 1.0294 | Relay (1.0) Calculated Property | |
| ΔfG° | -163.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.109 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | [2073.00; 2073.00] |
|
|
| Inp | 2073.00 | NIST | |
| Inp | 2073.00 | NIST | |
| Tboil | 607.38 | K | Relay (1.0) Calculated Property |
| Tc | 807.70 | K | Relay (1.0) Calculated Property |
| Tfus | 312.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.95; 928.16] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.30560e+01 | |||
| Coefficient B | 1.78462e+00 | |||
| Coefficient C | -1.11180e-03 | |||
| Coefficient D | 2.78400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 386.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 481.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 565.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 639.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 704.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 761.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 811.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 855.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 894.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 928.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009230; 0.0001286] | Pa×s | [448.14; 660.17] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31254e+01 | |||
| Coefficient B | 2.75050e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 448.14 | |||
| Temperature range, max. | 660.17 | |||
| η | 0.0009230 | Pa×s | 448.14 | Calculated Property |
| η | 0.0006793 | Pa×s | 471.70 | Calculated Property |
| η | 0.0005148 | Pa×s | 495.26 | Calculated Property |
| η | 0.0004000 | Pa×s | 518.82 | Calculated Property |
| η | 0.0003178 | Pa×s | 542.38 | Calculated Property |
| η | 0.0002573 | Pa×s | 565.94 | Calculated Property |
| η | 0.0002119 | Pa×s | 589.50 | Calculated Property |
| η | 0.0001771 | Pa×s | 613.06 | Calculated Property |
| η | 0.0001500 | Pa×s | 636.61 | Calculated Property |
| η | 0.0001286 | Pa×s | 660.17 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.36; 203.46] | kPa | [514.15; 709.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52924e+01 | |||
| Coefficient B | -5.81882e+03 | |||
| Coefficient C | -1.25923e+02 | |||
| Temperature range, min. | 514.15 | |||
| Temperature range, max. | 709.15 | |||
| Pvap | 1.36 | kPa | 514.15 | Calculated Property |
| Pvap | 2.99 | kPa | 535.82 | Calculated Property |
| Pvap | 6.11 | kPa | 557.48 | Calculated Property |
| Pvap | 11.63 | kPa | 579.15 | Calculated Property |
| Pvap | 20.90 | kPa | 600.82 | Calculated Property |
| Pvap | 35.66 | kPa | 622.48 | Calculated Property |
| Pvap | 58.21 | kPa | 644.15 | Calculated Property |
| Pvap | 91.35 | kPa | 665.82 | Calculated Property |
| Pvap | 138.45 | kPa | 687.48 | Calculated Property |
| Pvap | 203.46 | kPa | 709.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-octadecenoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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