- InChI
- InChI=1S/C16H15FO2/c1-2-7-12-8-3-6-11-15(12)19-16(18)13-9-4-5-10-14(13)17/h3-6,8-11H,2,7H2,1H3
- InChI Key
- WGVQROIYXXIALG-UHFFFAOYSA-N
- Formula
- C16H15FO2
- SMILES
- CCCc1ccccc1OC(=O)c1ccccc1F
- Molecular Weight1
- 258.29
- 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° | -139.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 3.997 | Crippen Calculated Property | |
| McVol | 197.990 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | [1938.00; 1938.00] |
|
|
| Inp | 1938.00 | NIST | |
| Inp | 1938.00 | NIST | |
| Tboil | 704.36 | K | Joback Calculated Property |
| Tc | 928.88 | K | Joback Calculated Property |
| Tfus | 420.71 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.95; 599.71] | J/mol×K | [704.36; 928.88] |
|
| Cp,gas | 524.95 | J/mol×K | 704.36 | Joback Calculated Property |
| Cp,gas | 540.01 | J/mol×K | 741.78 | Joback Calculated Property |
| Cp,gas | 553.98 | J/mol×K | 779.20 | Joback Calculated Property |
| Cp,gas | 566.90 | J/mol×K | 816.62 | Joback Calculated Property |
| Cp,gas | 578.80 | J/mol×K | 854.04 | Joback Calculated Property |
| Cp,gas | 589.72 | J/mol×K | 891.46 | Joback Calculated Property |
| Cp,gas | 599.71 | J/mol×K | 928.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, 2-propylphenyl ester.
Sources
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