- InChI
- InChI=1S/C13H19N/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
- InChI Key
- UDSNAMUMSIUNOU-UHFFFAOYSA-N
- Formula
- C13H19N
- SMILES
- CC(C)CCN=CCc1ccccc1
- Molecular Weight1
- 189.30
- CAS
- 139183-86-1
- Other Names
-
- 3-Methyl-N-(2-phenylethylidene)-1-butanamine
- 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 | 0.4858 | Relay (1.0) Calculated Property | |
| ΔfG° | 237.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 38.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.346 | Crippen Calculated Property | |
| McVol | 175.950 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [1387.00; 1396.00] |
|
|
| Inp | 1396.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Tboil | 529.74 | K | Relay (1.0) Calculated Property |
| Tc | 738.10 | K | Relay (1.0) Calculated Property |
| Tfus | 241.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.629 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, 3-methyl-N-(2-phenylethylidene)-.
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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