- InChI
- InChI=1S/C9H6Cl4N2O2/c10-6-3-1-5(2-4-6)7(16)14-15-8(17)9(11,12)13/h1-4H,(H,14,16)(H,15,17)
- InChI Key
- JQIUHCMAAQLMOY-UHFFFAOYSA-N
- Formula
- C9H6Cl4N2O2
- SMILES
-
O=C(NNC(=O)C(Cl)(Cl)Cl)c1ccc(C
l)cc1 - Molecular Weight1
- 315.97
- CAS
- 64968-99-6
- 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 | 0.5946 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.471 | Crippen Calculated Property | |
| McVol | 185.970 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback Calculated Property |
| Tboil | 603.60 | K | Relay (1.0) Calculated Property |
| Tc | 895.88 | K | Relay (1.0) Calculated Property |
| Tfus | 434.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.33; 452.57] | J/mol×K | [791.55; 1040.90] | 
|
| Cp,gas | 419.33 | J/mol×K | 791.55 | Joback Calculated Property |
| Cp,gas | 426.51 | J/mol×K | 833.11 | Joback Calculated Property |
| Cp,gas | 432.92 | J/mol×K | 874.67 | Joback Calculated Property |
| Cp,gas | 438.64 | J/mol×K | 916.23 | Joback Calculated Property |
| Cp,gas | 443.77 | J/mol×K | 957.78 | Joback Calculated Property |
| Cp,gas | 448.38 | J/mol×K | 999.34 | Joback Calculated Property |
| Cp,gas | 452.57 | J/mol×K | 1040.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloro-n'-(4-chlorobenzoyl)acetohydrazide.
Sources
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