- InChI
- InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-6,9,12-18H2,1-2H3
- InChI Key
- VATNVLNGBAFLPT-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCC#CCC#CCCCCCCCC(=O)OC
- Molecular Weight1
- 290.44
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.7140 | Relay (1.0) Calculated Property | |
| ΔfG° | 280.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.867 | Crippen Calculated Property | |
| McVol | 268.810 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Inp | 2208.80 | NIST | |
| Tboil | 569.64 | K | Relay (1.0) Calculated Property |
| Tc | 779.26 | K | Relay (1.0) Calculated Property |
| Tfus | 301.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.966 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.45; 855.14] | J/mol×K | [728.41; 922.41] | 
|
| Cp,gas | 759.45 | J/mol×K | 728.41 | Joback Calculated Property |
| Cp,gas | 777.66 | J/mol×K | 760.74 | Joback Calculated Property |
| Cp,gas | 794.94 | J/mol×K | 793.08 | Joback Calculated Property |
| Cp,gas | 811.30 | J/mol×K | 825.41 | Joback Calculated Property |
| Cp,gas | 826.77 | J/mol×K | 857.74 | Joback Calculated Property |
| Cp,gas | 841.38 | J/mol×K | 890.08 | Joback Calculated Property |
| Cp,gas | 855.14 | J/mol×K | 922.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Octadecadiynoic acid, methyl ester.
Sources
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