- InChI
- InChI=1S/C24H44O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-27-23(25)17-14-15-18-24(26)28-21-19-22(2)3/h2,4-21H2,1,3H3
- InChI Key
- LBSCAKPFLCPMFB-UHFFFAOYSA-N
- Formula
- C24H44O4
- SMILES
-
C=C(C)CCOC(=O)CCCCC(=O)OCCCCCC
CCCCCCC - Molecular Weight1
- 396.60
- 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° | -237.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -912.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.74 | kJ/mol | Joback Calculated Property |
| log10WS | -7.45 | Crippen Calculated Property | |
| logPoct/wat | 6.910 | Crippen Calculated Property | |
| McVol | 359.600 | ml/mol | McGowan Calculated Property |
| Pc | 873.77 | kPa | Joback Calculated Property |
| Inp | 2716.00 | NIST | |
| Tboil | 897.66 | K | Joback Calculated Property |
| Tc | 1099.45 | K | Joback Calculated Property |
| Tfus | 488.84 | K | Joback Calculated Property |
| Vc | 1.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.31; 1286.62] | J/mol×K | [897.66; 1099.45] | 
|
| Cp,gas | 1188.31 | J/mol×K | 897.66 | Joback Calculated Property |
| Cp,gas | 1207.87 | J/mol×K | 931.29 | Joback Calculated Property |
| Cp,gas | 1226.11 | J/mol×K | 964.92 | Joback Calculated Property |
| Cp,gas | 1243.07 | J/mol×K | 998.55 | Joback Calculated Property |
| Cp,gas | 1258.78 | J/mol×K | 1032.19 | Joback Calculated Property |
| Cp,gas | 1273.28 | J/mol×K | 1065.82 | Joback Calculated Property |
| Cp,gas | 1286.62 | J/mol×K | 1099.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbut-3-enyl tridecyl ester.
Sources
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