- InChI
- InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+
- InChI Key
- JFRWATCOFCPIBM-SPOHZTNBSA-N
- Formula
- C19H32O2
- SMILES
- CCCCCC=CCC=CCC=CCCCCC(=O)OC
- Molecular Weight1
- 292.46
- CAS
- 2676-41-7
- 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).
- 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 | 0.6756 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.749 | Crippen Calculated Property | |
| McVol | 273.110 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Tboil | 583.81 | K | Relay (1.0) Calculated Property |
| Tc | 758.74 | K | Relay (1.0) Calculated Property |
| Tfus | 269.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.46; 875.18] | J/mol×K | [722.89; 904.64] | 
|
| Cp,gas | 780.46 | J/mol×K | 722.89 | Joback Calculated Property |
| Cp,gas | 798.24 | J/mol×K | 753.18 | Joback Calculated Property |
| Cp,gas | 815.15 | J/mol×K | 783.47 | Joback Calculated Property |
| Cp,gas | 831.25 | J/mol×K | 813.77 | Joback Calculated Property |
| Cp,gas | 846.59 | J/mol×K | 844.06 | Joback Calculated Property |
| Cp,gas | 861.21 | J/mol×K | 874.35 | Joback Calculated Property |
| Cp,gas | 875.18 | J/mol×K | 904.64 | Joback Calculated Property |
| η | [0.0000541; 0.0015069] | Pa×s | [360.81; 722.89] |
|
| η | 0.0015069 | Pa×s | 360.81 | Joback Calculated Property |
| η | 0.0005818 | Pa×s | 421.16 | Joback Calculated Property |
| η | 0.0002851 | Pa×s | 481.50 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 541.85 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 602.20 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 662.54 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 722.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,9,12-Octadecatrienoic acid, methyl ester.
Sources
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