- InChI
- InChI=1S/C8H7Cl3N2/c1-2-12-13-8-6(10)3-5(9)4-7(8)11/h2-4,13H,1H3/b12-2+
- InChI Key
- AETCMHAHVPWXPK-SWGQDTFXSA-N
- Formula
- C8H7Cl3N2
- SMILES
- CC=NNc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 237.51
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5673 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 139.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.064 | Crippen Calculated Property | |
| McVol | 152.200 | ml/mol | McGowan Calculated Property |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| Inp | [1797.00; 1797.00] |
|
|
| Inp | 1797.00 | NIST | |
| Inp | 1797.00 | NIST | |
| Tboil | 545.98 | K | Relay (1.0) Calculated Property |
| Tc | 831.32 | K | Relay (1.0) Calculated Property |
| Tfus | 360.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanal, 2,4,6-trichlorophenyl hydrazone, #2.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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