- InChI
- InChI=1S/C19H13FO2/c20-17-8-4-7-16(13-17)19(21)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H
- InChI Key
- NEJFXILJSJCKGI-UHFFFAOYSA-N
- Formula
- C19H13FO2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc
c(F)c1 - 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 | 0.6702 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | 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 | 2530.00 | NIST | |
| Tboil | 669.30 | K | Relay (1.0) Calculated Property |
| Tc | 954.60 | K | Relay (1.0) Calculated Property |
| Tfus | 370.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | 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 3-Fluorobenzoic acid, 4-biphenyl ester.
Sources
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