- InChI
- InChI=1S/C13H20N2/c1-10(2)13(15(4)5)14-12-8-6-7-11(3)9-12/h6-10H,1-5H3/b14-13+
- InChI Key
- MHJHLKPQFACWMK-BUHFOSPRSA-N
- Formula
- C13H20N2
- SMILES
- Cc1cccc(N=C(C(C)C)N(C)C)c1
- Molecular Weight1
- 204.31
- 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 | 0.5380 | Relay (... Calculated Property | |
| ΔfG° | 287.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 82.32 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 63.30 | kJ/mol | Relay (... Calculated Property |
| IE | 7.41 | eV | Relay (... Calculated Property |
| log10WS | -2.93 | Relay (... Calculated Property | |
| logPoct/wat | 3.243 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [1615.00; 1615.00] |
|
|
| Inp | 1615.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Tboil | 547.07 | K | Relay (... Calculated Property |
| Tc | 745.04 | K | Relay (... Calculated Property |
| Tfus | 317.59 | K | Relay (... Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-methylphenyl)-isobutyramidine.
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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