- InChI
- InChI=1S/C3H3ClN2O/c4-1-3(7)2-6-5/h2H,1H2
- InChI Key
- QQRZDPCAMOLWBA-UHFFFAOYSA-N
- Formula
- C3H3ClN2O
- SMILES
- [N-]=[N+]=CC(=O)CCl
- Molecular Weight1
- 118.52
- CAS
- 20485-53-4
- 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 | 0.3282 | Relay (... Calculated Property | |
| ΔfG° | 101.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 14.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 44.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.90 ± 0.10 | eV | NIST |
| log10WS | 0.33 | Relay (... Calculated Property | |
| logPoct/wat | 0.095 | Crippen Calculated Property | |
| McVol | 78.300 | ml/mol | McGowan Calculated Property |
| Pc | 4536.76 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 420.91 | K | Relay (... Calculated Property |
| Tc | 615.18 | K | Relay (... Calculated Property |
| Tfus | 294.28 | K | Relay (... Calculated Property |
| Vc | 0.262 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone,1-chloro-3-dizao.
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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