- InChI
- InChI=1S/C21H30O4/c1-4-5-6-7-8-11-15-24-20(22)18-12-9-10-13-19(18)21(23)25-16-14-17(2)3/h9-10,12-13H,2,4-8,11,14-16H2,1,3H3
- InChI Key
- SLMOCUOIZQZIOV-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCCC - Molecular Weight1
- 346.46
- 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° | -159.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 5.327 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1294.86 | kPa | Joback Calculated Property |
| Inp | 2435.00 | NIST | |
| Tboil | 860.68 | K | Joback Calculated Property |
| Tc | 1064.32 | K | Joback Calculated Property |
| Tfus | 493.97 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.00; 988.30] | J/mol×K | [860.68; 1064.32] | 
|
| Cp,gas | 909.00 | J/mol×K | 860.68 | Joback Calculated Property |
| Cp,gas | 924.98 | J/mol×K | 894.62 | Joback Calculated Property |
| Cp,gas | 939.81 | J/mol×K | 928.56 | Joback Calculated Property |
| Cp,gas | 953.53 | J/mol×K | 962.50 | Joback Calculated Property |
| Cp,gas | 966.16 | J/mol×K | 996.44 | Joback Calculated Property |
| Cp,gas | 977.74 | J/mol×K | 1030.38 | Joback Calculated Property |
| Cp,gas | 988.30 | J/mol×K | 1064.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-methylbut-3-enyl octyl ester.
Sources
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