- InChI
- InChI=1S/C12H14F2O2/c1-3-4-8(2)16-12(15)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3
- InChI Key
- PRTUHHWGVRTNKG-UHFFFAOYSA-N
- Formula
- C12H14F2O2
- SMILES
- CCCC(C)OC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 228.24
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5966 | Relay (1.0) Calculated Property | |
| ΔfG° | -482.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.310 | Crippen Calculated Property | |
| McVol | 167.160 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | 1352.00 | NIST | |
| Tboil | 507.29 | K | Relay (1.0) Calculated Property |
| Tc | 698.51 | K | Relay (1.0) Calculated Property |
| Tfus | 236.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.17; 481.88] | J/mol×K | [584.99; 778.46] | 
|
| Cp,gas | 410.17 | J/mol×K | 584.99 | Joback Calculated Property |
| Cp,gas | 423.81 | J/mol×K | 617.23 | Joback Calculated Property |
| Cp,gas | 436.76 | J/mol×K | 649.48 | Joback Calculated Property |
| Cp,gas | 449.03 | J/mol×K | 681.72 | Joback Calculated Property |
| Cp,gas | 460.64 | J/mol×K | 713.97 | Joback Calculated Property |
| Cp,gas | 471.58 | J/mol×K | 746.21 | Joback Calculated Property |
| Cp,gas | 481.88 | J/mol×K | 778.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, 2-pentyl ester.
Sources
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