- InChI
- InChI=1S/C13H21N/c1-3-4-10-14-12(2)11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3
- InChI Key
- VIAVBPFRYASSKF-UHFFFAOYSA-N
- Formula
- C13H21N
- SMILES
- CCCCNC(C)Cc1ccccc1
- Molecular Weight1
- 191.31
- CAS
- 51799-33-8
- Other Names
-
- 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 | 0.5172 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -23.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.007 | Crippen Calculated Property | |
| McVol | 180.250 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1422.00; 1428.00] |
|
|
| Inp | 1422.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1422.00 | NIST | |
| Inp | 1422.00 | NIST | |
| I | [1732.00; 1732.00] |
|
|
| I | 1732.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1732.00 | NIST | |
| Tboil | 530.68 | K | Relay (1.0) Calculated Property |
| Tc | 726.78 | K | Relay (1.0) Calculated Property |
| Tfus | 258.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.87; 608.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.57260e+01 | |||
| Coefficient B | 1.24204e+00 | |||
| Coefficient C | -7.66400e-04 | |||
| Coefficient D | 1.79000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 239.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 305.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 363.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 415.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 460.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 499.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 533.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 562.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 587.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 608.91 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-n-butylamphetamine.
Sources
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