- InChI
- InChI=1S/C11H12F2O3/c1-2-3-4-15-11(14)16-10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3
- InChI Key
- ONTQCNINZVWURQ-UHFFFAOYSA-N
- Formula
- C11H12F2O3
- SMILES
- CCCCOC(=O)Oc1cc(F)cc(F)c1
- Molecular Weight1
- 230.21
- 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° | -593.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.280 | Crippen Calculated Property | |
| McVol | 158.940 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Inp | 1341.00 | NIST | |
| Tboil | 584.97 | K | Joback Calculated Property |
| Tc | 775.71 | K | Joback Calculated Property |
| Tfus | 360.76 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.68; 452.36] | J/mol×K | [584.97; 775.71] | 
|
| Cp,gas | 386.68 | J/mol×K | 584.97 | Joback Calculated Property |
| Cp,gas | 399.08 | J/mol×K | 616.76 | Joback Calculated Property |
| Cp,gas | 410.91 | J/mol×K | 648.55 | Joback Calculated Property |
| Cp,gas | 422.15 | J/mol×K | 680.34 | Joback Calculated Property |
| Cp,gas | 432.80 | J/mol×K | 712.13 | Joback Calculated Property |
| Cp,gas | 442.88 | J/mol×K | 743.92 | Joback Calculated Property |
| Cp,gas | 452.36 | J/mol×K | 775.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, butyl 3,5-difluophenyl ester.
Sources
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