- InChI
- InChI=1S/C12H16N2/c1-11-5-4-6-12(9-11)13-10-14-7-2-3-8-14/h4-6,9-10H,2-3,7-8H2,1H3/b13-10+
- InChI Key
- IVCJCBNZFJMSCQ-JLHYYAGUSA-N
- Formula
- C12H16N2
- SMILES
- Cc1cccc(N=CN2CCCC2)c1
- Molecular Weight1
- 188.27
- 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 | 0.5213 | Relay (1.0) Calculated Property | |
| ΔfG° | 328.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 121.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.751 | Crippen Calculated Property | |
| McVol | 160.980 | ml/mol | McGowan Calculated Property |
| Pc | 3020.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1831.00 | NIST | |
| Tboil | 601.76 | K | Relay (1.0) Calculated Property |
| Tc | 804.67 | K | Relay (1.0) Calculated Property |
| Tfus | 273.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanimine, 1-(1-pyrrolidinyl), N-(3-methylphenyl).
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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