- InChI
- InChI=1S/C11H12F2O2/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6H2,1H3
- InChI Key
- GWCNZMDLFITKJZ-UHFFFAOYSA-N
- Formula
- C11H12F2O2
- SMILES
- CCCCOC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 214.21
- 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 | 0.6134 | Relay (1.0) Calculated Property | |
| ΔfG° | -488.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.922 | Crippen Calculated Property | |
| McVol | 153.070 | ml/mol | McGowan Calculated Property |
| Pc | 2458.04 | kPa | Joback Calculated Property |
| Inp | [1329.00; 1329.00] |
|
|
| Inp | 1329.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Tboil | 507.84 | K | Relay (1.0) Calculated Property |
| Tc | 698.47 | K | Relay (1.0) Calculated Property |
| Tfus | 245.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.573 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.28; 428.68] | J/mol×K | [562.55; 754.68] |
|
| Cp,gas | 362.28 | J/mol×K | 562.55 | Joback Calculated Property |
| Cp,gas | 374.85 | J/mol×K | 594.57 | Joback Calculated Property |
| Cp,gas | 386.80 | J/mol×K | 626.59 | Joback Calculated Property |
| Cp,gas | 398.16 | J/mol×K | 658.62 | Joback Calculated Property |
| Cp,gas | 408.92 | J/mol×K | 690.64 | Joback Calculated Property |
| Cp,gas | 419.09 | J/mol×K | 722.66 | Joback Calculated Property |
| Cp,gas | 428.68 | J/mol×K | 754.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, butyl ester.
Sources
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