- InChI
- InChI=1S/C21H38O4/c1-4-5-6-13-17-24-20(22)14-11-9-7-8-10-12-15-21(23)25-18-16-19(2)3/h16H,4-15,17-18H2,1-3H3
- InChI Key
- MORPBSJZTWGDQD-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCC=C
(C)C - Molecular Weight1
- 354.52
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -270.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.19 | Crippen Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1050.73 | kPa | Joback Calculated Property |
| Inp | 2499.00 | NIST | |
| Tboil | 836.50 | K | Joback Calculated Property |
| Tc | 1026.26 | K | Joback Calculated Property |
| Tfus | 451.71 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.08; 1097.81] | J/mol×K | [836.50; 1026.26] | 
|
| Cp,gas | 1004.08 | J/mol×K | 836.50 | Joback Calculated Property |
| Cp,gas | 1022.24 | J/mol×K | 868.13 | Joback Calculated Property |
| Cp,gas | 1039.35 | J/mol×K | 899.75 | Joback Calculated Property |
| Cp,gas | 1055.42 | J/mol×K | 931.38 | Joback Calculated Property |
| Cp,gas | 1070.51 | J/mol×K | 963.01 | Joback Calculated Property |
| Cp,gas | 1084.62 | J/mol×K | 994.64 | Joback Calculated Property |
| Cp,gas | 1097.81 | J/mol×K | 1026.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexyl 3-methylbut-2-enyl ester.
Sources
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