- InChI
- InChI=1S/C10H21N/c1-5-9(3)7-11-8-10(4)6-2/h7,9-10H,5-6,8H2,1-4H3
- InChI Key
- XHGDBHQTAMAGRU-UHFFFAOYSA-N
- Formula
- C10H21N
- SMILES
- CCC(C)C=NCC(C)CC
- Molecular Weight1
- 155.28
- CAS
- 54518-97-7
- Other Names
-
- N-(2-Methylbutylidene)-2-methylbutylamine
- 2-Methyl-N-(2-methylbutylidene)-1-butanamine
- 2-Methyl-N-(2'-methylbutylidene)butanamine
- Butanamine, 2-methyl-N-(2-methylbutylidene)
- 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 | 0.4569 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -170.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 157.440 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [1025.00; 1026.00] |
|
|
| Inp | 1025.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1025.00 | NIST | |
| I | [1128.00; 1130.00] |
|
|
| I | 1128.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1128.00 | NIST | |
| Tboil | 443.78 | K | Relay (1.0) Calculated Property |
| Tc | 617.81 | K | Relay (1.0) Calculated Property |
| Tfus | 208.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, 2-methyl-N-(2-methylbutylidene)-.
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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