- InChI
- InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
- InChI Key
- JCRIVQIOJSSCQD-UHFFFAOYSA-N
- Formula
- C10H21N
- SMILES
- CNC(C)CC1CCCCC1
- Molecular Weight1
- 155.28
- CAS
- 101-40-6
- Other Names
-
- Cyclohexaneethanamine, N,«alpha»-dimethyl-
- Propylhexedrine
- Cyclohexaneethylamine, N-«alpha»-dimethyl-
- CHP-Depot
- Hexahydrodesoxyephedrine
- Hydromethamphetamine
- Methyl-(1-methyl-2-cyclohexylethyl)amine
- N,«alpha»-Dimethylcyclohexaneethylamine
- Obesin
- Obesine
- Propylhexadrine
- Propylhexedrin
- 1-Cyclohexyl-2-(methylamino)propane
- Dristan
- Cyclohexaneethylamine, «alpha»,N-dimethyl-
- 1-Cyclohexyl-2-methylaminopropan
- 1-Cyclohexyl-N-methyl-2-propanamine
- «alpha»,N-Dimethylcyclohexaneethylamine
- Dristan inhaler
- Cyclohexaneethanamine, N,«alpha»-dimethyl-, (.+/-.)
- (.+/-.)-N,«alpha»-Dimethylcyclohexaneethylamine
- N-Methyl-1-cyclohexylisopropylamine
- NSC 32410
- N,«alpha»-dimethylcyclohexanethylamine
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3745 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.565 | Crippen Calculated Property | |
| McVol | 150.880 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | [1157.00; 1210.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1170.00 | NIST | |
| I | [1410.00; 1431.00] |
|
|
| I | 1410.00 | NIST | |
| I | 1421.00 | NIST | |
| I | 1431.00 | NIST | |
| Tboil | 479.72 | K | Relay (1.0) Calculated Property |
| Tc | 685.61 | K | Relay (1.0) Calculated Property |
| Tfus | 261.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 50.20 | kJ/mol | 285.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.37; 557.74] | 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 | -7.46990e+01 | |||
| Coefficient B | 1.15804e+00 | |||
| Coefficient C | -6.53000e-04 | |||
| Coefficient D | 1.27400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 366.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 449.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 483.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 512.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 536.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 557.74 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzedrex.
Sources
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