- InChI
- InChI=1S/C13H16F2O3/c1-9(5-6-17-2)8-18-13(16)11-4-3-10(14)7-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3
- InChI Key
- MNPVEZYRRIXDBB-UHFFFAOYSA-N
- Formula
- C13H16F2O3
- SMILES
- COCCC(C)COC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 258.26
- 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° | -579.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 2.794 | Crippen Calculated Property | |
| McVol | 187.120 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | 1624.00 | NIST | |
| Tboil | 630.29 | K | Joback Calculated Property |
| Tc | 820.21 | K | Joback Calculated Property |
| Tfus | 368.30 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.51; 559.35] | J/mol×K | [630.29; 820.21] | 
|
| Cp,gas | 485.51 | J/mol×K | 630.29 | Joback Calculated Property |
| Cp,gas | 499.58 | J/mol×K | 661.94 | Joback Calculated Property |
| Cp,gas | 512.94 | J/mol×K | 693.60 | Joback Calculated Property |
| Cp,gas | 525.60 | J/mol×K | 725.25 | Joback Calculated Property |
| Cp,gas | 537.55 | J/mol×K | 756.90 | Joback Calculated Property |
| Cp,gas | 548.80 | J/mol×K | 788.56 | Joback Calculated Property |
| Cp,gas | 559.35 | J/mol×K | 820.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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