- InChI
- InChI=1S/C14H20N2O/c1-17-14-8-6-7-13(11-14)15-12-16-9-4-2-3-5-10-16/h6-8,11-12H,2-5,9-10H2,1H3/b15-12+
- InChI Key
- OYMPLFBCWKJVDK-NTCAYCPXSA-N
- Formula
- C14H20N2O
- SMILES
- COc1cccc(N=CN2CCCCCC2)c1
- Molecular Weight1
- 232.32
- 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 | 0.5905 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -45.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.231 | Crippen Calculated Property | |
| McVol | 195.030 | ml/mol | McGowan Calculated Property |
| Pc | 2374.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2144.00 | NIST | |
| Tboil | 644.39 | K | Relay (1.0) Calculated Property |
| Tc | 843.84 | K | Relay (1.0) Calculated Property |
| Tfus | 328.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Formamidine, 3,3-hexamethyleno-1-(3-methoxyphenyl).
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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