- InChI
- InChI=1S/C10H5Cl4NO2/c11-7-3-1-6(2-4-7)9(16)17-8(5-15)10(12,13)14/h1-4,8H
- InChI Key
- GXQADAOVOZXMNA-UHFFFAOYSA-N
- Formula
- C10H5Cl4NO2
- SMILES
-
N#CC(OC(=O)c1ccc(Cl)cc1)C(Cl)(
Cl)Cl - Molecular Weight1
- 312.96
- CAS
- 101166-96-5
- 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).
- 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 | 0.5682 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.759 | Crippen Calculated Property | |
| McVol | 185.780 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Tboil | 592.78 | K | Relay (1.0) Calculated Property |
| Tc | 839.51 | K | Relay (1.0) Calculated Property |
| Tfus | 408.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.27; 436.38] | J/mol×K | [784.28; 1040.84] | 
|
| Cp,gas | 404.27 | J/mol×K | 784.28 | Joback Calculated Property |
| Cp,gas | 411.40 | J/mol×K | 827.04 | Joback Calculated Property |
| Cp,gas | 417.72 | J/mol×K | 869.80 | Joback Calculated Property |
| Cp,gas | 423.32 | J/mol×K | 912.56 | Joback Calculated Property |
| Cp,gas | 428.25 | J/mol×K | 955.32 | Joback Calculated Property |
| Cp,gas | 432.58 | J/mol×K | 998.08 | Joback Calculated Property |
| Cp,gas | 436.38 | J/mol×K | 1040.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloro-1-cyanoethyl 4-chlorobenzoate.
Sources
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