- InChI
- InChI=1S/C14H18O2/c1-4-12-5-7-13(8-6-12)14(15)16-10-9-11(2)3/h5-9H,4,10H2,1-3H3
- InChI Key
- GSCBZQNTZAPPKA-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- CCc1ccc(C(=O)OCC=C(C)C)cc1
- Molecular Weight1
- 218.29
- 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° | 7.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 3.372 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | 1727.00 | NIST | |
| Tboil | 631.71 | K | Joback Calculated Property |
| Tc | 844.11 | K | Joback Calculated Property |
| Tfus | 339.60 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.60; 554.38] | J/mol×K | [631.71; 844.11] | 
|
| Cp,gas | 472.60 | J/mol×K | 631.71 | Joback Calculated Property |
| Cp,gas | 488.45 | J/mol×K | 667.11 | Joback Calculated Property |
| Cp,gas | 503.37 | J/mol×K | 702.51 | Joback Calculated Property |
| Cp,gas | 517.39 | J/mol×K | 737.91 | Joback Calculated Property |
| Cp,gas | 530.53 | J/mol×K | 773.31 | Joback Calculated Property |
| Cp,gas | 542.85 | J/mol×K | 808.71 | Joback Calculated Property |
| Cp,gas | 554.38 | J/mol×K | 844.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester.
Sources
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