- InChI
- InChI=1S/C23H42O4/c1-4-5-6-7-12-15-19-26-22(24)16-13-10-8-9-11-14-17-23(25)27-20-18-21(2)3/h18H,4-17,19-20H2,1-3H3
- InChI Key
- STAHDPALDPKUHF-UHFFFAOYSA-N
- Formula
- C23H42O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC
=C(C)C - Molecular Weight1
- 382.58
- 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 | 1.0657 | Relay (... Calculated Property | |
| ΔfG° | -253.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1042.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 59.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -6.14 | Relay (... Calculated Property | |
| logPoct/wat | 6.520 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 931.21 | kPa | Joback Calculated Property |
| Inp | 2685.00 | NIST | |
| Tboil | 635.42 | K | Relay (... Calculated Property |
| Tc | 807.54 | K | Relay (... Calculated Property |
| Tfus | 286.85 | K | Relay (... Calculated Property |
| Vc | 1.314 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1127.48; 1224.66] | J/mol×K | [882.26; 1080.15] | 
|
| Cp,gas | 1127.48 | J/mol×K | 882.26 | Joback Calculated Property |
| Cp,gas | 1146.53 | J/mol×K | 915.24 | Joback Calculated Property |
| Cp,gas | 1164.39 | J/mol×K | 948.22 | Joback Calculated Property |
| Cp,gas | 1181.09 | J/mol×K | 981.21 | Joback Calculated Property |
| Cp,gas | 1196.68 | J/mol×K | 1014.19 | Joback Calculated Property |
| Cp,gas | 1211.19 | J/mol×K | 1047.17 | Joback Calculated Property |
| Cp,gas | 1224.66 | J/mol×K | 1080.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-methylbut-2-enyl octyl ester.
Sources
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