- InChI
- InChI=1S/C19H26O4/c1-14(2)8-7-12-22-18(20)16-9-5-6-10-17(16)19(21)23-13-11-15(3)4/h5-6,9-10,14H,3,7-8,11-13H2,1-2,4H3
- InChI Key
- ODRADBFARMYZRD-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CC(C)C - 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° | -179.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.16 | 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 | 1503.48 | kPa | Joback Calculated Property |
| Inp | 2198.00 | NIST | |
| Tboil | 814.48 | K | Joback Calculated Property |
| Tc | 1020.01 | K | Joback Calculated Property |
| Tfus | 456.43 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.49; 870.77] | J/mol×K | [814.48; 1020.01] | 
|
| Cp,gas | 792.49 | J/mol×K | 814.48 | Joback Calculated Property |
| Cp,gas | 808.21 | J/mol×K | 848.74 | Joback Calculated Property |
| Cp,gas | 822.84 | J/mol×K | 882.99 | Joback Calculated Property |
| Cp,gas | 836.38 | J/mol×K | 917.25 | Joback Calculated Property |
| Cp,gas | 848.86 | J/mol×K | 951.50 | Joback Calculated Property |
| Cp,gas | 860.32 | J/mol×K | 985.76 | Joback Calculated Property |
| Cp,gas | 870.77 | J/mol×K | 1020.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isohexyl 3-methylbut-3-enyl ester.
Sources
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