- InChI
- InChI=1S/C10H10F2O2/c1-2-5-14-10(13)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5H2,1H3
- InChI Key
- MIRZUZXOHWPGEL-UHFFFAOYSA-N
- Formula
- C10H10F2O2
- SMILES
- CCCOC(=O)c1ccc(F)c(F)c1
- 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 | 0.5710 | Relay (1.0) Calculated Property | |
| ΔfG° | -497.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 138.980 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [1237.00; 1237.00] |
|
|
| Inp | 1237.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Tboil | 496.09 | K | Relay (1.0) Calculated Property |
| Tc | 681.59 | K | Relay (1.0) Calculated Property |
| Tfus | 259.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.53; 378.41] | J/mol×K | [539.67; 734.29] |
|
| Cp,gas | 316.53 | J/mol×K | 539.67 | Joback Calculated Property |
| Cp,gas | 328.23 | J/mol×K | 572.11 | Joback Calculated Property |
| Cp,gas | 339.37 | J/mol×K | 604.54 | Joback Calculated Property |
| Cp,gas | 349.95 | J/mol×K | 636.98 | Joback Calculated Property |
| Cp,gas | 359.98 | J/mol×K | 669.42 | Joback Calculated Property |
| Cp,gas | 369.46 | J/mol×K | 701.85 | Joback Calculated Property |
| Cp,gas | 378.41 | J/mol×K | 734.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, propyl ester.
Sources
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