- InChI
- InChI=1S/C11H13Cl3N2/c1-2-3-4-5-15-16-11-9(13)6-8(12)7-10(11)14/h5-7,16H,2-4H2,1H3/b15-5+
- InChI Key
- PGLKSYVQUISHTE-PJQLUOCWSA-N
- Formula
- C11H13Cl3N2
- SMILES
- CCCCC=NNc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 279.59
- 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 | 0.6685 | Relay (1.0) Calculated Property | |
| ΔfG° | 221.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 58.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.235 | Crippen Calculated Property | |
| McVol | 194.470 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | [2083.00; 2083.00] |
|
|
| Inp | 2083.00 | NIST | |
| Inp | 2083.00 | NIST | |
| Tboil | 572.49 | K | Relay (1.0) Calculated Property |
| Tc | 850.06 | K | Relay (1.0) Calculated Property |
| Tfus | 340.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pentanal, 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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