- InChI
- InChI=1S/C16H22O2/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-11H,4-6,12H2,1-3H3
- InChI Key
- MXTDRGHCGUHVIH-UHFFFAOYSA-N
- Formula
- C16H22O2
- SMILES
- CCCCc1ccc(C(=O)OCC=C(C)C)cc1
- Molecular Weight1
- 246.34
- 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° | 24.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.152 | Crippen Calculated Property | |
| McVol | 215.680 | ml/mol | McGowan Calculated Property |
| Pc | 1834.11 | kPa | Joback Calculated Property |
| Inp | 1924.40 | NIST | |
| Tboil | 677.47 | K | Joback Calculated Property |
| Tc | 883.60 | K | Joback Calculated Property |
| Tfus | 362.14 | K | Joback Calculated Property |
| Vc | 0.829 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.28; 663.89] | J/mol×K | [677.47; 883.60] | 
|
| Cp,gas | 577.28 | J/mol×K | 677.47 | Joback Calculated Property |
| Cp,gas | 594.03 | J/mol×K | 711.82 | Joback Calculated Property |
| Cp,gas | 609.80 | J/mol×K | 746.18 | Joback Calculated Property |
| Cp,gas | 624.63 | J/mol×K | 780.53 | Joback Calculated Property |
| Cp,gas | 638.56 | J/mol×K | 814.89 | Joback Calculated Property |
| Cp,gas | 651.64 | J/mol×K | 849.24 | Joback Calculated Property |
| Cp,gas | 663.89 | J/mol×K | 883.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-methylbut-2-enyl ester.
Sources
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