- InChI
- InChI=1S/C15H13FO3/c1-18-14-9-5-3-7-12(14)15(17)19-10-11-6-2-4-8-13(11)16/h2-9H,10H2,1H3
- InChI Key
- BVNJJHVNJKLFSJ-UHFFFAOYSA-N
- Formula
- C15H13FO3
- SMILES
- COc1ccccc1C(=O)OCc1ccccc1F
- Molecular Weight1
- 260.26
- 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° | -252.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 189.770 | ml/mol | McGowan Calculated Property |
| Pc | 2398.22 | kPa | Joback Calculated Property |
| Inp | [2003.00; 2003.00] |
|
|
| Inp | 2003.00 | NIST | |
| Inp | 2003.00 | NIST | |
| Tboil | 703.90 | K | Joback Calculated Property |
| Tc | 929.52 | K | Joback Calculated Property |
| Tfus | 431.67 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.50; 568.57] | J/mol×K | [703.90; 929.52] |
|
| Cp,gas | 498.50 | J/mol×K | 703.90 | Joback Calculated Property |
| Cp,gas | 512.76 | J/mol×K | 741.50 | Joback Calculated Property |
| Cp,gas | 525.96 | J/mol×K | 779.11 | Joback Calculated Property |
| Cp,gas | 538.12 | J/mol×K | 816.71 | Joback Calculated Property |
| Cp,gas | 549.27 | J/mol×K | 854.32 | Joback Calculated Property |
| Cp,gas | 559.41 | J/mol×K | 891.92 | Joback Calculated Property |
| Cp,gas | 568.57 | J/mol×K | 929.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxybenzoic acid, 2-fluorobenzyl ester.
Sources
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