- InChI
- InChI=1S/C14H11FO2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2
- InChI Key
- SOXMVJFDVWBBTL-UHFFFAOYSA-N
- Formula
- C14H11FO2
- SMILES
- O=C(OCc1cccc(F)c1)c1ccccc1
- Molecular Weight1
- 230.23
- 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° | -146.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.183 | Crippen Calculated Property | |
| McVol | 169.810 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [1786.00; 1786.00] |
|
|
| Inp | 1786.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Tboil | 653.62 | K | Joback Calculated Property |
| Tc | 885.85 | K | Joback Calculated Property |
| Tfus | 385.65 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.07; 493.58] | J/mol×K | [653.62; 885.85] |
|
| Cp,gas | 423.07 | J/mol×K | 653.62 | Joback Calculated Property |
| Cp,gas | 437.41 | J/mol×K | 692.32 | Joback Calculated Property |
| Cp,gas | 450.65 | J/mol×K | 731.03 | Joback Calculated Property |
| Cp,gas | 462.85 | J/mol×K | 769.73 | Joback Calculated Property |
| Cp,gas | 474.04 | J/mol×K | 808.44 | Joback Calculated Property |
| Cp,gas | 484.27 | J/mol×K | 847.14 | Joback Calculated Property |
| Cp,gas | 493.58 | J/mol×K | 885.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (3-fluorophenyl)methyl ester.
Sources
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