- InChI
- InChI=1S/C31H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-23-34-30(32)28-20-17-21-29(25-28)31(33)35-24-22-27(4)19-16-18-26(2)3/h17-18,20-21,25,27H,5-16,19,22-24H2,1-4H3
- InChI Key
- LFXSFKAAERVRIU-UHFFFAOYSA-N
- Formula
- C31H50O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1cccc(C(=O
)OCCC(C)CCC=C(C)C)c1 - Molecular Weight1
- 486.73
- 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° | -85.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -845.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.50 | kJ/mol | Joback Calculated Property |
| log10WS | -10.36 | Crippen Calculated Property | |
| logPoct/wat | 9.084 | Crippen Calculated Property | |
| McVol | 434.470 | ml/mol | McGowan Calculated Property |
| Pc | 722.24 | kPa | Joback Calculated Property |
| Inp | 3481.00 | NIST | |
| Tboil | 1096.52 | K | Joback Calculated Property |
| Tc | 1355.39 | K | Joback Calculated Property |
| Tfus | 588.35 | K | Joback Calculated Property |
| Vc | 1.687 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1532.13; 1621.80] | J/mol×K | [1096.52; 1355.39] | 
|
| Cp,gas | 1532.13 | J/mol×K | 1096.52 | Joback Calculated Property |
| Cp,gas | 1551.30 | J/mol×K | 1139.66 | Joback Calculated Property |
| Cp,gas | 1568.59 | J/mol×K | 1182.81 | Joback Calculated Property |
| Cp,gas | 1584.16 | J/mol×K | 1225.95 | Joback Calculated Property |
| Cp,gas | 1598.12 | J/mol×K | 1269.10 | Joback Calculated Property |
| Cp,gas | 1610.63 | J/mol×K | 1312.24 | Joback Calculated Property |
| Cp,gas | 1621.80 | J/mol×K | 1355.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,7-dimethyloct-6-enyl tridecyl ester.
Sources
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