- InChI
- InChI=1S/C11H7ClF6O2/c12-3-4-20-9(19)7-5-6(10(13,14)15)1-2-8(7)11(16,17)18/h1-2,5H,3-4H2
- InChI Key
- NNBVMAMVBRTAKV-UHFFFAOYSA-N
- Formula
- C11H7ClF6O2
- SMILES
-
O=C(OCCCl)c1cc(C(F)(F)F)ccc1C(
F)(F)F - Molecular Weight1
- 320.62
- 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 | 0.6535 | Relay (1.0) Calculated Property | |
| ΔfG° | -1274.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1610.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.120 | Crippen Calculated Property | |
| McVol | 172.390 | ml/mol | McGowan Calculated Property |
| Pc | 2073.65 | kPa | Joback Calculated Property |
| Inp | 1306.00 | NIST | |
| Tboil | 511.74 | K | Relay (1.0) Calculated Property |
| Tc | 733.33 | K | Relay (1.0) Calculated Property |
| Tfus | 331.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.35; 482.90] | J/mol×K | [590.60; 774.02] | 
|
| Cp,gas | 428.35 | J/mol×K | 590.60 | Joback Calculated Property |
| Cp,gas | 439.18 | J/mol×K | 621.17 | Joback Calculated Property |
| Cp,gas | 449.26 | J/mol×K | 651.74 | Joback Calculated Property |
| Cp,gas | 458.64 | J/mol×K | 682.31 | Joback Calculated Property |
| Cp,gas | 467.35 | J/mol×K | 712.88 | Joback Calculated Property |
| Cp,gas | 475.42 | J/mol×K | 743.45 | Joback Calculated Property |
| Cp,gas | 482.90 | J/mol×K | 774.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester.
Sources
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