- InChI
- InChI=1S/C10H10F2O2/c1-6(2)14-10(13)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3
- InChI Key
- YUQQGHPWIOJSMU-UHFFFAOYSA-N
- Formula
- C10H10F2O2
- SMILES
- CC(C)OC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 200.18
- 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 | 0.5211 | Relay (1.0) Calculated Property | |
| ΔfG° | -499.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.530 | Crippen Calculated Property | |
| McVol | 138.980 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Inp | [1206.00; 1206.00] |
|
|
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Tboil | 472.19 | K | Relay (1.0) Calculated Property |
| Tc | 678.13 | K | Relay (1.0) Calculated Property |
| Tfus | 262.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.87; 380.13] | J/mol×K | [539.23; 737.94] |
|
| Cp,gas | 316.87 | J/mol×K | 539.23 | Joback Calculated Property |
| Cp,gas | 328.88 | J/mol×K | 572.35 | Joback Calculated Property |
| Cp,gas | 340.29 | J/mol×K | 605.47 | Joback Calculated Property |
| Cp,gas | 351.12 | J/mol×K | 638.59 | Joback Calculated Property |
| Cp,gas | 361.36 | J/mol×K | 671.70 | Joback Calculated Property |
| Cp,gas | 371.03 | J/mol×K | 704.82 | Joback Calculated Property |
| Cp,gas | 380.13 | J/mol×K | 737.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzoic acid, isopropyl ester.
Sources
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