- InChI
- InChI=1S/C12H15FO2/c1-8(2)9(3)15-12(14)10-5-4-6-11(13)7-10/h4-9H,1-3H3
- InChI Key
- YPXFHPFYEYGJMI-UHFFFAOYSA-N
- Formula
- C12H15FO2
- SMILES
- CC(C)C(C)OC(=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° | -280.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.027 | Crippen Calculated Property | |
| McVol | 165.390 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | 1389.00 | NIST | |
| Tboil | 580.30 | K | Joback Calculated Property |
| Tc | 785.94 | K | Joback Calculated Property |
| Tfus | 306.69 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.71; 480.12] | J/mol×K | [580.30; 785.94] | 
|
| Cp,gas | 402.71 | J/mol×K | 580.30 | Joback Calculated Property |
| Cp,gas | 417.62 | J/mol×K | 614.57 | Joback Calculated Property |
| Cp,gas | 431.70 | J/mol×K | 648.85 | Joback Calculated Property |
| Cp,gas | 444.97 | J/mol×K | 683.12 | Joback Calculated Property |
| Cp,gas | 457.46 | J/mol×K | 717.39 | Joback Calculated Property |
| Cp,gas | 469.17 | J/mol×K | 751.67 | Joback Calculated Property |
| Cp,gas | 480.12 | J/mol×K | 785.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 3-methylbut-2-yl ester.
Sources
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