- InChI
- InChI=1S/C9H11BrN2/c1-12(2)7-11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
- InChI Key
- QXYAKYXLQMQHRD-UHFFFAOYSA-N
- Formula
- C9H11BrN2
- SMILES
- CN(C)C=Nc1ccccc1Br
- Molecular Weight1
- 227.10
- CAS
- 53746-69-3
- Other Names
-
- N'-(o-Bromophenyl)-N,N-dimethylformamidine
- N1,N1-Dimethyl-N2-ortho-bromophenylformamidine
- 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 | 0.4639 | Relay (1.0) Calculated Property | |
| ΔfG° | 296.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 190.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.20 | eV | NIST |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.670 | Crippen Calculated Property | |
| McVol | 147.070 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Inp | 1657.00 | NIST | |
| Tboil | 571.72 | K | Relay (1.0) Calculated Property |
| Tc | 786.44 | K | Relay (1.0) Calculated Property |
| Tfus | 317.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.526 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanimidamide, N'-(2-bromophenyl)-N,N-dimethyl-.
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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