- InChI
- InChI=1S/C15H20O2/c1-4-14(13-8-6-5-7-9-13)15(16)17-11-10-12(2)3/h5-10,14H,4,11H2,1-3H3
- InChI Key
- CTASMGAMKMQDNO-UHFFFAOYSA-N
- Formula
- C15H20O2
- SMILES
- CCC(C(=O)OCC=C(C)C)c1ccccc1
- Molecular Weight1
- 232.32
- 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° | 23.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 201.590 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | [1640.00; 1640.00] |
|
|
| Inp | 1640.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Tboil | 649.17 | K | Joback Calculated Property |
| Tc | 861.36 | K | Joback Calculated Property |
| Tfus | 323.35 | K | Joback Calculated Property |
| Vc | 0.766 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.18; 611.72] | J/mol×K | [649.17; 861.36] |
|
| Cp,gas | 525.18 | J/mol×K | 649.17 | Joback Calculated Property |
| Cp,gas | 542.06 | J/mol×K | 684.54 | Joback Calculated Property |
| Cp,gas | 557.90 | J/mol×K | 719.90 | Joback Calculated Property |
| Cp,gas | 572.73 | J/mol×K | 755.27 | Joback Calculated Property |
| Cp,gas | 586.62 | J/mol×K | 790.63 | Joback Calculated Property |
| Cp,gas | 599.60 | J/mol×K | 826.00 | Joback Calculated Property |
| Cp,gas | 611.72 | J/mol×K | 861.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 3-methylbut-2-en-1-yl ester.
Sources
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