- InChI
- InChI=1S/C10H4ClF7O2/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
- InChI Key
- JTYHYRBWKFYRMF-UHFFFAOYSA-N
- Formula
- C10H4ClF7O2
- SMILES
-
O=C(Oc1cccc(Cl)c1)C(F)(F)C(F)(
F)C(F)(F)F - Molecular Weight1
- 324.58
- 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 | 0.5242 | Relay (... Calculated Property | |
| ΔfG° | -1464.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1750.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.57 | eV | Relay (... Calculated Property |
| log10WS | -5.16 | Relay (... Calculated Property | |
| logPoct/wat | 4.078 | Crippen Calculated Property | |
| McVol | 160.070 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | [1087.00; 1087.00] |
|
|
| Inp | 1087.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Tboil | 465.98 | K | Relay (... Calculated Property |
| Tc | 643.94 | K | Relay (... Calculated Property |
| Tfus | 253.19 | K | Relay (... Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.61; 446.02] | J/mol×K | [558.78; 744.80] |
|
| Cp,gas | 394.61 | J/mol×K | 558.78 | Joback Calculated Property |
| Cp,gas | 405.20 | J/mol×K | 589.78 | Joback Calculated Property |
| Cp,gas | 414.91 | J/mol×K | 620.79 | Joback Calculated Property |
| Cp,gas | 423.79 | J/mol×K | 651.79 | Joback Calculated Property |
| Cp,gas | 431.90 | J/mol×K | 682.79 | Joback Calculated Property |
| Cp,gas | 439.29 | J/mol×K | 713.80 | Joback Calculated Property |
| Cp,gas | 446.02 | J/mol×K | 744.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorophenol, heptafluorobutyrate.
Sources
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