- InChI
- InChI=1S/C20H28O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,11-12H,2,4-7,10,13-15H2,1,3H3
- InChI Key
- SCKAEDYKCKOYEK-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCC - Molecular Weight1
- 332.43
- 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° | -168.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 4.937 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Inp | 2338.00 | NIST | |
| Tboil | 837.80 | K | Joback Calculated Property |
| Tc | 1040.87 | K | Joback Calculated Property |
| Tfus | 482.70 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.07; 928.66] | J/mol×K | [837.80; 1040.87] | 
|
| Cp,gas | 850.07 | J/mol×K | 837.80 | Joback Calculated Property |
| Cp,gas | 865.85 | J/mol×K | 871.65 | Joback Calculated Property |
| Cp,gas | 880.51 | J/mol×K | 905.49 | Joback Calculated Property |
| Cp,gas | 894.10 | J/mol×K | 939.34 | Joback Calculated Property |
| Cp,gas | 906.63 | J/mol×K | 973.18 | Joback Calculated Property |
| Cp,gas | 918.14 | J/mol×K | 1007.03 | Joback Calculated Property |
| Cp,gas | 928.66 | J/mol×K | 1040.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl 3-methylbut-3-enyl ester.
Sources
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