- InChI
- InChI=1S/C11H5Cl2F7O2/c12-6-1-2-7(13)5(3-6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2
- InChI Key
- YGAVMHPOCBRAMQ-UHFFFAOYSA-N
- Formula
- C11H5Cl2F7O2
- SMILES
-
O=C(OCc1cc(Cl)ccc1Cl)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 373.05
- 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 | 0.5825 | Relay (1.0) Calculated Property | |
| ΔfG° | -1478.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1788.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.870 | Crippen Calculated Property | |
| McVol | 186.400 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [1348.00; 1348.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Tboil | 505.02 | K | Relay (1.0) Calculated Property |
| Tc | 681.77 | K | Relay (1.0) Calculated Property |
| Tfus | 277.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.57; 512.21] | J/mol×K | [624.07; 813.33] |
|
| Cp,gas | 464.57 | J/mol×K | 624.07 | Joback Calculated Property |
| Cp,gas | 474.38 | J/mol×K | 655.61 | Joback Calculated Property |
| Cp,gas | 483.37 | J/mol×K | 687.16 | Joback Calculated Property |
| Cp,gas | 491.58 | J/mol×K | 718.70 | Joback Calculated Property |
| Cp,gas | 499.09 | J/mol×K | 750.24 | Joback Calculated Property |
| Cp,gas | 505.95 | J/mol×K | 781.79 | Joback Calculated Property |
| Cp,gas | 512.21 | J/mol×K | 813.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dichlorobenzyl alcohol, heptafluorobutyrate.
Sources
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