- InChI
- InChI=1S/C11H12F2O3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3
- InChI Key
- ZMJNKEALKFWQLQ-UHFFFAOYSA-N
- Formula
- C11H12F2O3
- SMILES
- CC(C)COC(=O)Oc1cc(F)cc(F)c1
- Molecular Weight1
- 230.21
- 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 | 0.6462 | Relay (1.0) Calculated Property | |
| ΔfG° | -596.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.136 | Crippen Calculated Property | |
| McVol | 158.940 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | 1284.00 | NIST | |
| Tboil | 502.95 | K | Relay (1.0) Calculated Property |
| Tc | 688.10 | K | Relay (1.0) Calculated Property |
| Tfus | 270.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.599 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.09; 454.05] | J/mol×K | [584.53; 778.96] | 
|
| Cp,gas | 387.09 | J/mol×K | 584.53 | Joback Calculated Property |
| Cp,gas | 399.79 | J/mol×K | 616.94 | Joback Calculated Property |
| Cp,gas | 411.87 | J/mol×K | 649.34 | Joback Calculated Property |
| Cp,gas | 423.34 | J/mol×K | 681.75 | Joback Calculated Property |
| Cp,gas | 434.19 | J/mol×K | 714.15 | Joback Calculated Property |
| Cp,gas | 444.43 | J/mol×K | 746.56 | Joback Calculated Property |
| Cp,gas | 454.05 | J/mol×K | 778.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, isobutyl 3,5-difluophenyl ester.
Sources
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