- InChI
- InChI=1S/C9H2Cl6O2/c10-3-1-5(12)6(2-4(3)11)17-9(16)7(13)8(14)15/h1-2H
- InChI Key
- DAWWNBVHPCMBEQ-UHFFFAOYSA-N
- Formula
- C9H2Cl6O2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)C(Cl)=
C(Cl)Cl - Molecular Weight1
- 354.83
- CAS
- 2224-98-8
- 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 | 0.6127 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.438 | Crippen Calculated Property | |
| McVol | 190.490 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Tboil | 570.57 | K | Relay (1.0) Calculated Property |
| Tc | 867.46 | K | Relay (1.0) Calculated Property |
| Tfus | 370.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.72; 382.72] | J/mol×K | [751.73; 1008.84] | 
|
| Cp,gas | 353.72 | J/mol×K | 751.73 | Joback Calculated Property |
| Cp,gas | 359.95 | J/mol×K | 794.58 | Joback Calculated Property |
| Cp,gas | 365.57 | J/mol×K | 837.43 | Joback Calculated Property |
| Cp,gas | 370.62 | J/mol×K | 880.28 | Joback Calculated Property |
| Cp,gas | 375.13 | J/mol×K | 923.14 | Joback Calculated Property |
| Cp,gas | 379.15 | J/mol×K | 965.99 | Joback Calculated Property |
| Cp,gas | 382.72 | J/mol×K | 1008.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,3-Trichloroacrylic acid, 2,4,5-trichlorophenyl ester.
Sources
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