- InChI
- InChI=1S/C7H15N/c1-4-8-6-5-7(2)3/h4,7H,5-6H2,1-3H3
- InChI Key
- SHFUPXUCTHPZGG-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- CC=NCCC(C)C
- Molecular Weight1
- 113.20
- Other Names
-
- Butanamine, 3-methyl-N-ethylidene
- 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.
- I : 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 | 0.3903 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -86.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.123 | Crippen Calculated Property | |
| McVol | 115.170 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | [790.00; 797.00] |
|
|
| Inp | 790.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 790.00 | NIST | |
| I | [974.00; 974.00] |
|
|
| I | 974.00 | NIST | |
| I | 974.00 | NIST | |
| Tboil | 390.15 | K | Relay (1.0) Calculated Property |
| Tc | 576.04 | K | Relay (1.0) Calculated Property |
| Tfus | 175.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, 3-methyl-N-ethylidene.
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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