- InChI
- InChI=1S/C9H7ClF2O3/c10-1-2-14-9(13)15-8-4-6(11)3-7(12)5-8/h3-5H,1-2H2
- InChI Key
- CNBVZHSPHGTRFU-UHFFFAOYSA-N
- Formula
- C9H7ClF2O3
- SMILES
- O=C(OCCCl)Oc1cc(F)cc(F)c1
- Molecular Weight1
- 236.60
- 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° | -622.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.719 | Crippen Calculated Property | |
| McVol | 143.000 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Inp | [1411.00; 1411.00] |
|
|
| Inp | 1411.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Tboil | 576.64 | K | Joback Calculated Property |
| Tc | 776.80 | K | Joback Calculated Property |
| Tfus | 368.14 | K | Joback Calculated Property |
| Vc | 0.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.95; 371.46] | J/mol×K | [576.64; 776.80] |
|
| Cp,gas | 318.95 | J/mol×K | 576.64 | Joback Calculated Property |
| Cp,gas | 328.97 | J/mol×K | 610.00 | Joback Calculated Property |
| Cp,gas | 338.50 | J/mol×K | 643.36 | Joback Calculated Property |
| Cp,gas | 347.51 | J/mol×K | 676.72 | Joback Calculated Property |
| Cp,gas | 356.01 | J/mol×K | 710.08 | Joback Calculated Property |
| Cp,gas | 364.00 | J/mol×K | 743.44 | Joback Calculated Property |
| Cp,gas | 371.46 | J/mol×K | 776.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2-chloroethyl 3,5-difluophenyl ester.
Sources
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