- InChI
- InChI=1S/C11H13FO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
- InChI Key
- OZOJNBOWCVAQPW-UHFFFAOYSA-N
- Formula
- C11H13FO2
- SMILES
- COC(=O)CCCc1ccc(F)cc1
- Molecular Weight1
- 196.22
- CAS
- 20637-05-2
- Other Names
-
- Methyl 4-(4-fluorophenyl)butanoate
- 4-(4-Fluorophenyl)butanoic acid methyl ester
- 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).
- 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° | -284.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.36 | kJ/mol | Joback Calculated Property |
| IE | 8.80 ± 0.20 | eV | NIST |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.321 | Crippen Calculated Property | |
| McVol | 151.300 | ml/mol | McGowan Calculated Property |
| Pc | 2611.07 | kPa | Joback Calculated Property |
| Tboil | 558.30 | K | Joback Calculated Property |
| Tc | 758.64 | K | Joback Calculated Property |
| Tfus | 325.42 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.38; 424.91] | J/mol×K | [558.30; 758.64] | 
|
| Cp,gas | 354.38 | J/mol×K | 558.30 | Joback Calculated Property |
| Cp,gas | 367.84 | J/mol×K | 591.69 | Joback Calculated Property |
| Cp,gas | 380.61 | J/mol×K | 625.08 | Joback Calculated Property |
| Cp,gas | 392.68 | J/mol×K | 658.47 | Joback Calculated Property |
| Cp,gas | 404.08 | J/mol×K | 691.86 | Joback Calculated Property |
| Cp,gas | 414.82 | J/mol×K | 725.25 | Joback Calculated Property |
| Cp,gas | 424.91 | J/mol×K | 758.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-(p-fluorophenyl)-, methyl ester.
Sources
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