- InChI
- InChI=1S/C10H3ClF8O2/c11-5-3-4(12)1-2-6(5)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
- InChI Key
- MPRBRTLOHUGHTL-UHFFFAOYSA-N
- Formula
- C10H3ClF8O2
- SMILES
-
O=C(Oc1ccc(F)cc1Cl)C(F)(F)C(F)
(F)C(F)(F)F - Molecular Weight1
- 342.57
- 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° | -1669.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1891.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.217 | Crippen Calculated Property | |
| McVol | 161.840 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | 1045.00 | NIST | |
| Tboil | 563.03 | K | Joback Calculated Property |
| Tc | 741.98 | K | Joback Calculated Property |
| Tfus | 367.98 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.25; 450.42] | J/mol×K | [563.03; 741.98] | 
|
| Cp,gas | 402.25 | J/mol×K | 563.03 | Joback Calculated Property |
| Cp,gas | 412.09 | J/mol×K | 592.85 | Joback Calculated Property |
| Cp,gas | 421.14 | J/mol×K | 622.68 | Joback Calculated Property |
| Cp,gas | 429.45 | J/mol×K | 652.50 | Joback Calculated Property |
| Cp,gas | 437.07 | J/mol×K | 682.33 | Joback Calculated Property |
| Cp,gas | 444.05 | J/mol×K | 712.15 | Joback Calculated Property |
| Cp,gas | 450.42 | J/mol×K | 741.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-4-fluorophenyl heptanfluorobutyrate.
Sources
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