- InChI
- InChI=1S/C8H7FO2/c9-8-3-1-2-7(4-8)5-11-6-10/h1-4,6H,5H2
- InChI Key
- ZTANPNVVMLPICD-UHFFFAOYSA-N
- Formula
- C8H7FO2
- SMILES
- O=COCc1cccc(F)c1
- Molecular Weight1
- 154.14
- 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° | -280.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 109.030 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Inp | [1096.00; 1096.00] |
|
|
| Inp | 1096.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Tboil | 484.45 | K | Joback Calculated Property |
| Tc | 688.49 | K | Joback Calculated Property |
| Tfus | 283.68 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.21; 277.64] | J/mol×K | [484.45; 688.49] |
|
| Cp,gas | 224.21 | J/mol×K | 484.45 | Joback Calculated Property |
| Cp,gas | 234.38 | J/mol×K | 518.46 | Joback Calculated Property |
| Cp,gas | 244.03 | J/mol×K | 552.46 | Joback Calculated Property |
| Cp,gas | 253.17 | J/mol×K | 586.47 | Joback Calculated Property |
| Cp,gas | 261.81 | J/mol×K | 620.48 | Joback Calculated Property |
| Cp,gas | 269.97 | J/mol×K | 654.48 | Joback Calculated Property |
| Cp,gas | 277.64 | J/mol×K | 688.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (3-fluorophenyl)methyl ester.
Sources
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