- InChI
- InChI=1S/C13H21N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
- InChI Key
- NJRKFGIEJVKUHP-UHFFFAOYSA-N
- Formula
- C13H21N
- SMILES
- CCCN(C)C(C)Cc1ccccc1
- Molecular Weight1
- 191.31
- Other Names
-
- N-Methyl-N-propylamphetamine
- 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 | 0.4503 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.959 | Crippen Calculated Property | |
| McVol | 180.250 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | [1396.00; 1405.00] |
|
|
| Inp | 1396.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1396.00 | NIST | |
| I | [1673.00; 1673.00] |
|
|
| I | 1673.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1673.00 | NIST | |
| Tboil | 521.32 | K | Relay (1.0) Calculated Property |
| Tc | 710.39 | K | Relay (1.0) Calculated Property |
| Tfus | 234.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.20; 610.05] | 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 | -5.52070e+01 | |||
| Coefficient B | 1.28976e+00 | |||
| Coefficient C | -8.30400e-04 | |||
| Coefficient D | 2.05900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 239.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 417.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 462.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 501.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 534.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 563.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 588.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 610.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-methyl-N-npropyl-amphetamine.
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