- InChI
- InChI=1S/C12H15FO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3
- InChI Key
- CAVZEARYKBBVBP-UHFFFAOYSA-N
- Formula
- C12H15FO2
- SMILES
- CC(C)CCOC(=O)c1cccc(F)c1
- Molecular Weight1
- 210.24
- 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° | -278.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 3.029 | Crippen Calculated Property | |
| McVol | 165.390 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [1457.00; 1457.00] |
|
|
| Inp | 1457.00 | NIST | |
| Inp | 1457.00 | NIST | |
| Tboil | 580.74 | K | Joback Calculated Property |
| Tc | 782.26 | K | Joback Calculated Property |
| Tfus | 321.69 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.33; 478.23] | J/mol×K | [580.74; 782.26] |
|
| Cp,gas | 402.33 | J/mol×K | 580.74 | Joback Calculated Property |
| Cp,gas | 416.88 | J/mol×K | 614.33 | Joback Calculated Property |
| Cp,gas | 430.65 | J/mol×K | 647.91 | Joback Calculated Property |
| Cp,gas | 443.66 | J/mol×K | 681.50 | Joback Calculated Property |
| Cp,gas | 455.91 | J/mol×K | 715.09 | Joback Calculated Property |
| Cp,gas | 467.43 | J/mol×K | 748.67 | Joback Calculated Property |
| Cp,gas | 478.23 | J/mol×K | 782.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 3-methylbutyl ester.
Sources
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