- InChI
- InChI=1S/C13H17BrN2/c14-12-6-5-7-13(10-12)15-11-16-8-3-1-2-4-9-16/h5-7,10-11H,1-4,8-9H2/b15-11+
- InChI Key
- OLFIGLWUCZBNEM-RVDMUPIBSA-N
- Formula
- C13H17BrN2
- SMILES
- Brc1cccc(N=CN2CCCCCC2)c1
- Molecular Weight1
- 281.19
- 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 | 0.5138 | Relay (1.0) Calculated Property | |
| ΔfG° | 334.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 96.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.985 | Crippen Calculated Property | |
| McVol | 192.570 | ml/mol | McGowan Calculated Property |
| Pc | 2677.66 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2217.00 | NIST | |
| Tboil | 644.97 | K | Relay (1.0) Calculated Property |
| Tc | 869.91 | K | Relay (1.0) Calculated Property |
| Tfus | 320.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Formamidine, 3,3-hexamethyleno-1-(3-bromophenyl).
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
- McGowan Method
- NIST Webbook
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