- InChI
- InChI=1S/C19H13FO2/c20-17-10-6-16(7-11-17)19(21)22-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-13H
- InChI Key
- CBEYOBTULVOOMY-UHFFFAOYSA-N
- Formula
- C19H13FO2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc
(F)cc1 - Molecular Weight1
- 292.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6723 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.712 | Crippen Calculated Property | |
| McVol | 216.500 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [2529.00; 2529.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Tboil | 674.19 | K | Relay (1.0) Calculated Property |
| Tc | 952.14 | K | Relay (1.0) Calculated Property |
| Tfus | 385.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.32; 662.76] | J/mol×K | [799.68; 1052.32] |
|
| Cp,gas | 596.32 | J/mol×K | 799.68 | Joback Calculated Property |
| Cp,gas | 610.61 | J/mol×K | 841.79 | Joback Calculated Property |
| Cp,gas | 623.49 | J/mol×K | 883.89 | Joback Calculated Property |
| Cp,gas | 635.07 | J/mol×K | 926.00 | Joback Calculated Property |
| Cp,gas | 645.42 | J/mol×K | 968.10 | Joback Calculated Property |
| Cp,gas | 654.62 | J/mol×K | 1010.21 | Joback Calculated Property |
| Cp,gas | 662.76 | J/mol×K | 1052.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzoic acid, 4-biphenyl ester.
Sources
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