- InChI
- InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
- InChI Key
- NEGYEDYHPHMHGK-UHFFFAOYSA-N
- Formula
- C10H15NO.ClH
- SMILES
- COc1ccc(CC(C)N)cc1
- Molecular Weight1
- 201.69
- CAS
- 3706-26-1
- Other Names
-
- p-Methoxy-«alpha»-methylphenethylamine hydrochloride
- «beta»-p-Methoxyphenylisopropylaminhydrochlorid
- Phenethylamine, 4-methoxy-alpha-methyl-, hydrochloride
- 2-Propanamine, 1-(4-methoxyphenyl)-, hydrochloride
- 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).
- 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 | 0.5501 | Relay (... Calculated Property | |
| ΔfG° | 95.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -1.65 | Relay (... Calculated Property | |
| logPoct/wat | 1.585 | Crippen Calculated Property | |
| McVol | 143.850 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 524.52 | K | Relay (... Calculated Property |
| Tc | 718.34 | K | Relay (... Calculated Property |
| Tfus | 316.93 | K | Relay (... Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.96; 417.22] | J/mol×K | [554.37; 773.57] | 
|
| Cp,gas | 340.96 | J/mol×K | 554.37 | Joback Calculated Property |
| Cp,gas | 355.65 | J/mol×K | 590.90 | Joback Calculated Property |
| Cp,gas | 369.53 | J/mol×K | 627.44 | Joback Calculated Property |
| Cp,gas | 382.60 | J/mol×K | 663.97 | Joback Calculated Property |
| Cp,gas | 394.90 | J/mol×K | 700.51 | Joback Calculated Property |
| Cp,gas | 406.43 | J/mol×K | 737.04 | Joback Calculated Property |
| Cp,gas | 417.22 | J/mol×K | 773.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenethylamine, p-methoxy-«alpha»-methyl-, hydrochloride.
Sources
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