- InChI
- InChI=1S/C17H22O4/c1-12(2)8-9-20-16(18)14-6-5-7-15(10-14)17(19)21-11-13(3)4/h5-8,10,13H,9,11H2,1-4H3
- InChI Key
- LOOAYZQCMBQKDI-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
CC(C)=CCOC(=O)c1cccc(C(=O)OCC(
C)C)c1 - Molecular Weight1
- 290.35
- 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° | -203.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | 2182.00 | NIST | |
| Tboil | 776.20 | K | Joback Calculated Property |
| Tc | 987.88 | K | Joback Calculated Property |
| Tfus | 430.57 | K | Joback Calculated Property |
| Vc | 0.902 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.54; 756.18] | J/mol×K | [776.20; 987.88] | 
|
| Cp,gas | 679.54 | J/mol×K | 776.20 | Joback Calculated Property |
| Cp,gas | 694.83 | J/mol×K | 811.48 | Joback Calculated Property |
| Cp,gas | 709.08 | J/mol×K | 846.76 | Joback Calculated Property |
| Cp,gas | 722.30 | J/mol×K | 882.04 | Joback Calculated Property |
| Cp,gas | 734.55 | J/mol×K | 917.32 | Joback Calculated Property |
| Cp,gas | 745.83 | J/mol×K | 952.60 | Joback Calculated Property |
| Cp,gas | 756.18 | J/mol×K | 987.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 3-methylbut-2-en-1-yl ester.
Sources
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