- InChI
- InChI=1S/C19H26O4/c1-14(2)7-6-11-22-18(20)16-8-5-9-17(13-16)19(21)23-12-10-15(3)4/h5,8-10,13-14H,6-7,11-12H2,1-4H3
- InChI Key
- SDNDULSPKLCURE-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
CC(C)=CCOC(=O)c1cccc(C(=O)OCCC
C(C)C)c1 - Molecular Weight1
- 318.41
- 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° | -186.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.79 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.403 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | 2399.00 | NIST | |
| Tboil | 821.96 | K | Joback Calculated Property |
| Tc | 1030.51 | K | Joback Calculated Property |
| Tfus | 453.11 | K | Joback Calculated Property |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.23; 871.98] | J/mol×K | [821.96; 1030.51] | 
|
| Cp,gas | 793.23 | J/mol×K | 821.96 | Joback Calculated Property |
| Cp,gas | 808.98 | J/mol×K | 856.72 | Joback Calculated Property |
| Cp,gas | 823.63 | J/mol×K | 891.48 | Joback Calculated Property |
| Cp,gas | 837.22 | J/mol×K | 926.24 | Joback Calculated Property |
| Cp,gas | 849.79 | J/mol×K | 960.99 | Joback Calculated Property |
| Cp,gas | 861.37 | J/mol×K | 995.75 | Joback Calculated Property |
| Cp,gas | 871.98 | J/mol×K | 1030.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 3-methylbut-2-en-1-yl ester.
Sources
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