- InChI
- InChI=1S/C12H14F2O2/c1-2-3-4-7-16-12(15)10-8-9(13)5-6-11(10)14/h5-6,8H,2-4,7H2,1H3
- InChI Key
- MKPUPVYBXMWMON-UHFFFAOYSA-N
- Formula
- C12H14F2O2
- SMILES
- CCCCCOC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 228.24
- 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° | -480.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.312 | Crippen Calculated Property | |
| McVol | 167.160 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [1475.00; 1475.00] |
|
|
| Inp | 1475.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Tboil | 585.43 | K | Joback Calculated Property |
| Tc | 775.25 | K | Joback Calculated Property |
| Tfus | 349.80 | K | Joback Calculated Property |
| Vc | 0.659 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.77; 480.13] | J/mol×K | [585.43; 775.25] |
|
| Cp,gas | 409.77 | J/mol×K | 585.43 | Joback Calculated Property |
| Cp,gas | 423.10 | J/mol×K | 617.07 | Joback Calculated Property |
| Cp,gas | 435.78 | J/mol×K | 648.70 | Joback Calculated Property |
| Cp,gas | 447.81 | J/mol×K | 680.34 | Joback Calculated Property |
| Cp,gas | 459.21 | J/mol×K | 711.97 | Joback Calculated Property |
| Cp,gas | 469.98 | J/mol×K | 743.61 | Joback Calculated Property |
| Cp,gas | 480.13 | J/mol×K | 775.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzoic acid, pentyl ester.
Sources
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