- InChI
- InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8(12)5-11-10/h1-5H
- InChI Key
- ZDKVKKYKIPGOBL-UHFFFAOYSA-N
- Formula
- C8H5ClN2O
- SMILES
- [N-]=[N+]=CC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 180.59
- CAS
- 3282-33-5
- 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).
- 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 | 0.4219 | Relay (... Calculated Property | |
| ΔfG° | 209.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 138.77 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 ± 0.05 | eV | NIST |
| log10WS | -2.34 | Relay (... Calculated Property | |
| logPoct/wat | 1.823 | Crippen Calculated Property | |
| McVol | 124.990 | ml/mol | McGowan Calculated Property |
| Pc | 3560.89 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 529.96 | K | Relay (... Calculated Property |
| Tc | 742.98 | K | Relay (... Calculated Property |
| Tfus | 378.23 | K | Relay (... Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone,1-(4-chlorophenyl)-2-diazo-.
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
- McGowan Method
- NIST Webbook
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