- InChI
- InChI=1S/C14H13BrN2O/c1-18-14-7-3-6-13(9-14)17-10-16-12-5-2-4-11(15)8-12/h2-10H,1H3,(H,16,17)
- InChI Key
- HWHUSLHWHLCIAJ-UHFFFAOYSA-N
- Formula
- C14H13BrN2O
- SMILES
- COc1cccc(NC=Nc2cccc(Br)c2)c1
- Molecular Weight1
- 305.17
- 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 | 0.6484 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 133.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 199.630 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Inp | 2458.00 | NIST | |
| Tboil | 661.95 | K | Relay (1.0) Calculated Property |
| Tc | 937.25 | K | Relay (1.0) Calculated Property |
| Tfus | 376.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(3-Methoxyphenyl)-N'-(3-chlorophenyl)formamidine.
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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