- InChI
- InChI=1S/C17H15ClF8O4/c18-11-6-4-10(5-7-11)8-29-12(27)2-1-3-13(28)30-9-15(21,22)17(25,26)16(23,24)14(19)20/h4-7,14H,1-3,8-9H2
- InChI Key
- BXCIWERIMYAROW-UHFFFAOYSA-N
- Formula
- C17H15ClF8O4
- SMILES
-
O=C(CCCC(=O)OCC(F)(F)C(F)(F)C(
F)(F)C(F)F)OCc1ccc(Cl)cc1 - Molecular Weight1
- 470.74
- 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° | -1837.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2274.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.268 | Crippen Calculated Property | |
| McVol | 267.910 | ml/mol | McGowan Calculated Property |
| Pc | 1299.53 | kPa | Joback Calculated Property |
| Inp | [2128.00; 2128.00] |
|
|
| Inp | 2128.00 | NIST | |
| Inp | 2128.00 | NIST | |
| Tboil | 794.06 | K | Joback Calculated Property |
| Tc | 980.06 | K | Joback Calculated Property |
| Tfus | 491.51 | K | Joback Calculated Property |
| Vc | 1.081 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.68; 854.93] | J/mol×K | [794.06; 980.06] |
|
| Cp,gas | 797.68 | J/mol×K | 794.06 | Joback Calculated Property |
| Cp,gas | 809.19 | J/mol×K | 825.06 | Joback Calculated Property |
| Cp,gas | 819.84 | J/mol×K | 856.06 | Joback Calculated Property |
| Cp,gas | 829.68 | J/mol×K | 887.06 | Joback Calculated Property |
| Cp,gas | 838.77 | J/mol×K | 918.06 | Joback Calculated Property |
| Cp,gas | 847.17 | J/mol×K | 949.06 | Joback Calculated Property |
| Cp,gas | 854.93 | J/mol×K | 980.06 | Joback Calculated Property |
Similar Compounds
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Sources
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