- InChI
- InChI=1S/C16H17ClN2O/c1-19(2)16(12-7-9-15(20-3)10-8-12)18-14-6-4-5-13(17)11-14/h4-11H,1-3H3/b18-16+
- InChI Key
- GBSUGWKQSCSKHY-FBMGVBCBSA-N
- Formula
- C16H17ClN2O
- SMILES
-
COc1ccc(C(=Nc2cccc(Cl)c2)N(C)C
)cc1 - Molecular Weight1
- 288.77
- 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 | 0.6767 | Relay (1.0) Calculated Property | |
| ΔfG° | 286.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 66.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.989 | Crippen Calculated Property | |
| McVol | 222.550 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | 2234.00 | NIST | |
| Tboil | 647.55 | K | Relay (1.0) Calculated Property |
| Tc | 894.73 | K | Relay (1.0) Calculated Property |
| Tfus | 361.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-chlorophenyl)-p-methoxybenzamidine.
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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