- InChI
- InChI=1S/C17H19ClN2O/c1-4-21-16-7-5-6-15(12-16)19-17(20(2)3)13-8-10-14(18)11-9-13/h5-12H,4H2,1-3H3
- InChI Key
- MBNAAHOWHALNRB-UHFFFAOYSA-N
- Formula
- C17H19ClN2O
- SMILES
-
CCOc1cccc(N=C(c2ccc(Cl)cc2)N(C
)C)c1 - Molecular Weight1
- 302.80
- 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 | 0.7047 | Relay (1.0) Calculated Property | |
| ΔfG° | 267.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 4.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.379 | Crippen Calculated Property | |
| McVol | 236.640 | ml/mol | McGowan Calculated Property |
| Pc | 1774.35 | kPa | Joback Calculated Property |
| Inp | [2250.00; 2250.00] |
|
|
| Inp | 2250.00 | NIST | |
| Inp | 2250.00 | NIST | |
| Tboil | 656.60 | K | Relay (1.0) Calculated Property |
| Tc | 888.68 | K | Relay (1.0) Calculated Property |
| Tfus | 372.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-ethoxyphenyl)-p-chlorobenzamidine.
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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