- InChI
- InChI=1S/C14H23N/c1-4-5-11-15(3)13(2)12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
- InChI Key
- XWUXLSYHMHHYPV-UHFFFAOYSA-N
- Formula
- C14H23N
- SMILES
- CCCCN(C)C(C)Cc1ccccc1
- Molecular Weight1
- 205.34
- Other Names
-
- N-Methyl-N-butylamphetamine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.4952 | Relay (1.0) Calculated Property | |
| ΔfG° | 287.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.349 | Crippen Calculated Property | |
| McVol | 194.340 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Inp | [1486.00; 1488.00] |
|
|
| Inp | 1486.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| I | [1743.00; 1743.00] |
|
|
| I | 1743.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1743.00 | NIST | |
| Tboil | 536.85 | K | Relay (1.0) Calculated Property |
| Tc | 721.67 | K | Relay (1.0) Calculated Property |
| Tfus | 243.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.17; 578.31] | J/mol×K | [558.40; 753.95] |
|
| Cp,gas | 479.17 | J/mol×K | 558.40 | Joback Calculated Property |
| Cp,gas | 498.19 | J/mol×K | 590.99 | Joback Calculated Property |
| Cp,gas | 516.15 | J/mol×K | 623.58 | Joback Calculated Property |
| Cp,gas | 533.10 | J/mol×K | 656.18 | Joback Calculated Property |
| Cp,gas | 549.08 | J/mol×K | 688.77 | Joback Calculated Property |
| Cp,gas | 564.13 | J/mol×K | 721.36 | Joback Calculated Property |
| Cp,gas | 578.31 | J/mol×K | 753.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Methyl-N-n-butyl-amphetamine.
Sources
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