- InChI
- InChI=1S/C12H19N/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
- InChI Key
- PJXXJRMRHFYMEY-UHFFFAOYSA-N
- Formula
- C12H19N
- SMILES
- CC(C)NC(C)Cc1ccccc1
- Molecular Weight1
- 177.29
- CAS
- 33236-69-0
- Other Names
-
- Isopropylamphetamine
- N-Isopropyl-1-phenyl-2-propanamine
- N-Isopropylamphetamine
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 247.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -11.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 166.160 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Inp | [1247.00; 1257.00] |
|
|
| Inp | 1247.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1257.00 | NIST | |
| I | [1552.00; 1552.00] |
|
|
| I | 1552.00 | NIST | |
| I | 1552.00 | NIST | |
| Tboil | 549.93 | K | Joback Calculated Property |
| Tc | 758.97 | K | Joback Calculated Property |
| Tfus | 274.08 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.96; 489.42] | J/mol×K | [549.93; 758.97] |
|
| Cp,gas | 398.96 | J/mol×K | 549.93 | Joback Calculated Property |
| Cp,gas | 416.46 | J/mol×K | 584.77 | Joback Calculated Property |
| Cp,gas | 432.94 | J/mol×K | 619.61 | Joback Calculated Property |
| Cp,gas | 448.43 | J/mol×K | 654.45 | Joback Calculated Property |
| Cp,gas | 462.98 | J/mol×K | 689.29 | Joback Calculated Property |
| Cp,gas | 476.63 | J/mol×K | 724.13 | Joback Calculated Property |
| Cp,gas | 489.42 | J/mol×K | 758.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanamine, «alpha»-methyl-N-(1-methylethyl)-.
Sources
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