- InChI
- InChI=1S/C28H42O4/c1-21(2)10-7-12-23(5)16-18-31-27(29)25-14-9-15-26(20-25)28(30)32-19-17-24(6)13-8-11-22(3)4/h9-11,14-15,20,23-24H,7-8,12-13,16-19H2,1-6H3
- InChI Key
- XIFLVJWKFKIASU-UHFFFAOYSA-N
- Formula
- C28H42O4
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)c1cccc(C(
=O)OCCC(C)CCC=C(C)C)c1 - Molecular Weight1
- 442.63
- 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° | -41.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.47 | kJ/mol | Joback Calculated Property |
| log10WS | -8.72 | Crippen Calculated Property | |
| logPoct/wat | 7.545 | Crippen Calculated Property | |
| McVol | 387.900 | ml/mol | McGowan Calculated Property |
| Pc | 881.57 | kPa | Joback Calculated Property |
| Inp | 3161.00 | NIST | |
| Tboil | 1031.48 | K | Joback Calculated Property |
| Tc | 1262.88 | K | Joback Calculated Property |
| Tfus | 520.50 | K | Joback Calculated Property |
| Vc | 1.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1312.16; 1400.13] | J/mol×K | [1031.48; 1262.88] | 
|
| Cp,gas | 1312.16 | J/mol×K | 1031.48 | Joback Calculated Property |
| Cp,gas | 1329.79 | J/mol×K | 1070.05 | Joback Calculated Property |
| Cp,gas | 1346.10 | J/mol×K | 1108.61 | Joback Calculated Property |
| Cp,gas | 1361.19 | J/mol×K | 1147.18 | Joback Calculated Property |
| Cp,gas | 1375.16 | J/mol×K | 1185.75 | Joback Calculated Property |
| Cp,gas | 1388.11 | J/mol×K | 1224.32 | Joback Calculated Property |
| Cp,gas | 1400.13 | J/mol×K | 1262.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(3,7-dimethyloct-6-enyl) ester.
Sources
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