- InChI
- InChI=1S/C16H17BrN2/c1-12-4-6-13(7-5-12)16(19(2)3)18-15-10-8-14(17)9-11-15/h4-11H,1-3H3/b18-16+
- InChI Key
- FHCIYBRJIWCFIA-FBMGVBCBSA-N
- Formula
- C16H17BrN2
- SMILES
-
Cc1ccc(C(=Nc2ccc(Br)cc2)N(C)C)
cc1 - Molecular Weight1
- 317.22
- 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 | 0.6293 | Relay (1.0) Calculated Property | |
| ΔfG° | 372.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 234.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.397 | Crippen Calculated Property | |
| McVol | 221.940 | ml/mol | McGowan Calculated Property |
| Pc | 2153.30 | kPa | Joback Calculated Property |
| Inp | [2208.00; 2208.00] |
|
|
| Inp | 2208.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Tboil | 649.87 | K | Relay (1.0) Calculated Property |
| Tc | 897.61 | K | Relay (1.0) Calculated Property |
| Tfus | 405.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(4-bromophenyl)-p-methylbenzamidine.
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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