- InChI
- InChI=1S/C27H8Cl2F10O4/c28-10-1-3-12(42-26(40)14-16(30)20(34)24(38)21(35)17(14)31)8(6-10)5-9-7-11(29)2-4-13(9)43-27(41)15-18(32)22(36)25(39)23(37)19(15)33/h1-4,6-7H,5H2
- InChI Key
- CDEGXIKTBLFWRO-UHFFFAOYSA-N
- Formula
- C27H8Cl2F10O4
- SMILES
-
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1
OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1 c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 657.24
- 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 | 1.1596 | Relay (1.0) Calculated Property | |
| ΔfG° | -1948.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1833.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.414 | Crippen Calculated Property | |
| McVol | 353.310 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Inp | [3003.00; 3003.00] |
|
|
| Inp | 3003.00 | NIST | |
| Inp | 3003.00 | NIST | |
| Tboil | 762.84 | K | Relay (1.0) Calculated Property |
| Tc | 1049.82 | K | Relay (1.0) Calculated Property |
| Tfus | 398.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.281 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [985.39; 1025.49] | J/mol×K | [1213.74; 1499.09] |
|
| Cp,gas | 1025.49 | J/mol×K | 1213.74 | Joback Calculated Property |
| Cp,gas | 1024.89 | J/mol×K | 1261.30 | Joback Calculated Property |
| Cp,gas | 1021.84 | J/mol×K | 1308.86 | Joback Calculated Property |
| Cp,gas | 1016.36 | J/mol×K | 1356.42 | Joback Calculated Property |
| Cp,gas | 1008.46 | J/mol×K | 1403.98 | Joback Calculated Property |
| Cp,gas | 998.13 | J/mol×K | 1451.53 | Joback Calculated Property |
| Cp,gas | 985.39 | J/mol×K | 1499.09 | Joback Calculated Property |
Similar Compounds
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Sources
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