- InChI
- InChI=1S/C28H44O4/c1-5-6-7-8-9-10-11-12-20-31-27(29)25-17-14-18-26(22-25)28(30)32-21-19-24(4)16-13-15-23(2)3/h14-15,17-18,22,24H,5-13,16,19-21H2,1-4H3
- InChI Key
- ADNSUFQCXIRRBA-UHFFFAOYSA-N
- Formula
- C28H44O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
CC(C)CCC=C(C)C)c1 - Molecular Weight1
- 444.65
- 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° | -110.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.82 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 7.913 | Crippen Calculated Property | |
| McVol | 392.200 | ml/mol | McGowan Calculated Property |
| Pc | 848.50 | kPa | Joback Calculated Property |
| Inp | 3192.00 | NIST | |
| Tboil | 1027.88 | K | Joback Calculated Property |
| Tc | 1259.95 | K | Joback Calculated Property |
| Tfus | 554.54 | K | Joback Calculated Property |
| Vc | 1.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1340.90; 1426.60] | J/mol×K | [1027.88; 1259.95] | 
|
| Cp,gas | 1340.90 | J/mol×K | 1027.88 | Joback Calculated Property |
| Cp,gas | 1358.75 | J/mol×K | 1066.56 | Joback Calculated Property |
| Cp,gas | 1375.05 | J/mol×K | 1105.24 | Joback Calculated Property |
| Cp,gas | 1389.91 | J/mol×K | 1143.92 | Joback Calculated Property |
| Cp,gas | 1403.40 | J/mol×K | 1182.60 | Joback Calculated Property |
| Cp,gas | 1415.60 | J/mol×K | 1221.27 | Joback Calculated Property |
| Cp,gas | 1426.60 | J/mol×K | 1259.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl 3,7-dimethyloct-6-enyl ester.
Sources
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