- InChI
- InChI=1S/C30H48O4/c1-5-6-7-8-9-10-11-12-13-14-22-33-29(31)27-19-16-20-28(24-27)30(32)34-23-21-26(4)18-15-17-25(2)3/h16-17,19-20,24,26H,5-15,18,21-23H2,1-4H3
- InChI Key
- URQMDQUUCUCMST-UHFFFAOYSA-N
- Formula
- C30H48O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCCC(C)CCC=C(C)C)c1 - Molecular Weight1
- 472.70
- 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° | -94.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.27 | kJ/mol | Joback Calculated Property |
| log10WS | -9.94 | Crippen Calculated Property | |
| logPoct/wat | 8.694 | Crippen Calculated Property | |
| McVol | 420.380 | ml/mol | McGowan Calculated Property |
| Pc | 761.00 | kPa | Joback Calculated Property |
| Inp | 3384.00 | NIST | |
| Tboil | 1073.64 | K | Joback Calculated Property |
| Tc | 1322.23 | K | Joback Calculated Property |
| Tfus | 577.08 | K | Joback Calculated Property |
| Vc | 1.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1468.06; 1556.22] | J/mol×K | [1073.64; 1322.23] | 
|
| Cp,gas | 1468.06 | J/mol×K | 1073.64 | Joback Calculated Property |
| Cp,gas | 1486.73 | J/mol×K | 1115.07 | Joback Calculated Property |
| Cp,gas | 1503.66 | J/mol×K | 1156.50 | Joback Calculated Property |
| Cp,gas | 1518.96 | J/mol×K | 1197.94 | Joback Calculated Property |
| Cp,gas | 1532.74 | J/mol×K | 1239.37 | Joback Calculated Property |
| Cp,gas | 1545.13 | J/mol×K | 1280.80 | Joback Calculated Property |
| Cp,gas | 1556.22 | J/mol×K | 1322.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,7-dimethyloct-6-enyl dodecyl ester.
Sources
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