- InChI
- InChI=1S/C12H13Cl3N2/c1-2-3-4-5-6-16-17-12-10(14)7-9(13)8-11(12)15/h4-8,17H,2-3H2,1H3/b5-4+,16-6+
- InChI Key
- HYWZYTFTKRTXFT-TUQJRISCSA-N
- Formula
- C12H13Cl3N2
- SMILES
- CCCC=CC=NNc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 291.60
- 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 | 0.6356 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 118.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.401 | Crippen Calculated Property | |
| McVol | 204.260 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 587.32 | K | Relay (1.0) Calculated Property |
| Tc | 861.46 | K | Relay (1.0) Calculated Property |
| Tfus | 354.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexenal (E), 2,4,6-trichlorophenyl hydrazone, #1.
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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