- InChI
- InChI=1S/C12H13FO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3
- InChI Key
- MEDMSMBQEOOHBM-UHFFFAOYSA-N
- Formula
- C12H13FO2
- SMILES
- CC(C)=CCOC(=O)c1ccccc1F
- Molecular Weight1
- 208.23
- 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° | -204.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.949 | Crippen Calculated Property | |
| McVol | 161.090 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Inp | 1475.00 | NIST | |
| Tboil | 585.22 | K | Joback Calculated Property |
| Tc | 794.67 | K | Joback Calculated Property |
| Tfus | 317.65 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.89; 453.56] | J/mol×K | [585.22; 794.67] | 
|
| Cp,gas | 381.89 | J/mol×K | 585.22 | Joback Calculated Property |
| Cp,gas | 395.78 | J/mol×K | 620.13 | Joback Calculated Property |
| Cp,gas | 408.85 | J/mol×K | 655.04 | Joback Calculated Property |
| Cp,gas | 421.14 | J/mol×K | 689.94 | Joback Calculated Property |
| Cp,gas | 432.66 | J/mol×K | 724.85 | Joback Calculated Property |
| Cp,gas | 443.46 | J/mol×K | 759.76 | Joback Calculated Property |
| Cp,gas | 453.56 | J/mol×K | 794.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester.
Sources
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