- 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° | 39.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.72 | 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 | 1204.80 | kPa | Joback Calculated Property |
| Tboil | 583.81 | K | Relay (1.0) Calculated Property |
| Tc | 762.78 | K | Relay (1.0) Calculated Property |
| Tfus | 267.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [772.68; 867.82] | J/mol×K | [705.02; 884.30] | 
|
| Cp,gas | 772.68 | J/mol×K | 705.02 | Joback Calculated Property |
| Cp,gas | 790.63 | J/mol×K | 734.90 | Joback Calculated Property |
| Cp,gas | 807.68 | J/mol×K | 764.78 | Joback Calculated Property |
| Cp,gas | 823.88 | J/mol×K | 794.66 | Joback Calculated Property |
| Cp,gas | 839.27 | J/mol×K | 824.54 | Joback Calculated Property |
| Cp,gas | 853.90 | J/mol×K | 854.42 | Joback Calculated Property |
| Cp,gas | 867.82 | J/mol×K | 884.30 | Joback Calculated Property |
| η | [0.0000482; 0.0023243] | Pa×s | [330.98; 705.02] |
|
| η | 0.0023243 | Pa×s | 330.98 | Joback Calculated Property |
| η | 0.0007302 | Pa×s | 393.32 | Joback Calculated Property |
| η | 0.0003149 | Pa×s | 455.66 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 518.00 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 580.34 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 642.68 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 705.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,9,12-Octadecatrienoic acid, methyl ester.
Sources
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