- InChI
- InChI=1S/C17H29N/c1-4-6-13-18(14-7-5-2)16(3)15-17-11-9-8-10-12-17/h8-12,16H,4-7,13-15H2,1-3H3
- InChI Key
- NZYBJDSRVQRZDZ-UHFFFAOYSA-N
- Formula
- C17H29N
- SMILES
- CCCCN(CCCC)C(C)Cc1ccccc1
- Molecular Weight1
- 247.42
- Other Names
-
- N,N-Dibutylamphetamine
- 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 | 0.6100 | Relay (1.0) Calculated Property | |
| ΔfG° | 313.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.520 | Crippen Calculated Property | |
| McVol | 236.610 | ml/mol | McGowan Calculated Property |
| Pc | 1583.49 | kPa | Joback Calculated Property |
| Inp | [1689.00; 1689.00] |
|
|
| Inp | 1689.00 | NIST | |
| Inp | 1689.00 | NIST | |
| I | [1902.00; 1902.00] |
|
|
| I | 1902.00 | NIST | |
| I | 1902.00 | NIST | |
| Tboil | 574.06 | K | Relay (1.0) Calculated Property |
| Tc | 751.10 | K | Relay (1.0) Calculated Property |
| Tfus | 235.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.61; 743.46] | J/mol×K | [627.04; 815.70] |
|
| Cp,gas | 638.61 | J/mol×K | 627.04 | Joback Calculated Property |
| Cp,gas | 658.63 | J/mol×K | 658.48 | Joback Calculated Property |
| Cp,gas | 677.57 | J/mol×K | 689.93 | Joback Calculated Property |
| Cp,gas | 695.48 | J/mol×K | 721.37 | Joback Calculated Property |
| Cp,gas | 712.40 | J/mol×K | 752.81 | Joback Calculated Property |
| Cp,gas | 728.38 | J/mol×K | 784.26 | Joback Calculated Property |
| Cp,gas | 743.46 | J/mol×K | 815.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Di-n-butylamphetamine.
Sources
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