- InChI
- InChI=1S/C11H13ClN2/c12-10-4-3-5-11(8-10)13-9-14-6-1-2-7-14/h3-5,8-9H,1-2,6-7H2/b13-9+
- InChI Key
- MJUWTRQSLSYILM-UKTHLTGXSA-N
- Formula
- C11H13ClN2
- SMILES
- Clc1cccc(N=CN2CCCC2)c1
- Molecular Weight1
- 208.69
- 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 | 0.5013 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 100.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.096 | Crippen Calculated Property | |
| McVol | 159.130 | ml/mol | McGowan Calculated Property |
| Pc | 3219.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1948.00 | NIST | |
| Tboil | 603.70 | K | Relay (1.0) Calculated Property |
| Tc | 823.87 | K | Relay (1.0) Calculated Property |
| Tfus | 293.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanimine, 1-(1-pyrrolidinyl), N-(3-chlorophenyl).
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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