- InChI
- InChI=1S/C17H22O4/c1-12(2)9-10-20-16(18)14-7-5-6-8-15(14)17(19)21-11-13(3)4/h5-8,13H,1,9-11H2,2-4H3
- InChI Key
- WAOQJPNGIFSUSC-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
(C)C - Molecular Weight1
- 290.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7951 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | 1998.00 | NIST | |
| Tboil | 620.55 | K | Relay (1.0) Calculated Property |
| Tc | 804.33 | K | Relay (1.0) Calculated Property |
| Tfus | 258.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.865 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.94; 755.32] | J/mol×K | [768.72; 976.97] | 
|
| Cp,gas | 678.94 | J/mol×K | 768.72 | Joback Calculated Property |
| Cp,gas | 694.22 | J/mol×K | 803.43 | Joback Calculated Property |
| Cp,gas | 708.46 | J/mol×K | 838.14 | Joback Calculated Property |
| Cp,gas | 721.66 | J/mol×K | 872.84 | Joback Calculated Property |
| Cp,gas | 733.86 | J/mol×K | 907.55 | Joback Calculated Property |
| Cp,gas | 745.07 | J/mol×K | 942.26 | Joback Calculated Property |
| Cp,gas | 755.32 | J/mol×K | 976.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isobutyl 3-methylbut-3-enyl ester.
Sources
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