- InChI
- InChI=1S/C11H12F2O2/c1-7(2)6-15-11(14)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3
- InChI Key
- PPYCLYDJFPQOKQ-UHFFFAOYSA-N
- Formula
- C11H12F2O2
- SMILES
- CC(C)COC(=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 | 0.5814 | Relay (... Calculated Property | |
| ΔfG° | -491.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.70 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.66 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -4.01 | Relay (... Calculated Property | |
| logPoct/wat | 2.778 | Crippen Calculated Property | |
| McVol | 153.070 | ml/mol | McGowan Calculated Property |
| Pc | 2477.65 | kPa | Joback Calculated Property |
| Inp | [1279.00; 1279.00] |
|
|
| Inp | 1279.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Tboil | 505.42 | K | Relay (... Calculated Property |
| Tc | 693.85 | K | Relay (... Calculated Property |
| Tfus | 271.00 | K | Relay (... Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.64; 430.43] | J/mol×K | [562.11; 758.12] |
|
| Cp,gas | 362.64 | J/mol×K | 562.11 | Joback Calculated Property |
| Cp,gas | 375.53 | J/mol×K | 594.78 | Joback Calculated Property |
| Cp,gas | 387.76 | J/mol×K | 627.45 | Joback Calculated Property |
| Cp,gas | 399.36 | J/mol×K | 660.11 | Joback Calculated Property |
| Cp,gas | 410.33 | J/mol×K | 692.78 | Joback Calculated Property |
| Cp,gas | 420.69 | J/mol×K | 725.45 | Joback Calculated Property |
| Cp,gas | 430.43 | J/mol×K | 758.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, isobutyl ester.
Sources
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