- InChI
- InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
- InChI Key
- WECUIGDEWBNQJJ-UHFFFAOYSA-N
- Formula
- C10H15N
- SMILES
- CC(N)CCc1ccccc1
- Molecular Weight1
- 149.23
- CAS
- 22374-89-6
- Other Names
-
- 1-Methyl-3-phenylpropylamine
- 1-Phenyl-3-amino-butan
- 1-Phenyl-3-aminobutane
- 2-Amino-4-phenylbutane
- 3-Amino-1-phenylbutane
- 3-Phenyl-1-methylpropylamine
- 4-Phenyl-2-aminobutane
- Benzenepropanamine, .alpha.-methyl-
- NSC 115524
- Propylamine, 1-methyl-3-phenyl-
- Propylamine, «alpha»-methyl-«gamma»-phenyl-
- «alpha»-Methyl-«gamma»-phenyl-N-propylamine
- «alpha»-Methylbenzenepropanamine
- 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.
- Ip : 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 | 0.4653 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 19.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.966 | Crippen Calculated Property | |
| McVol | 137.980 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [1221.70; 1257.00] |
|
|
| Inp | 1257.00 | NIST | |
| Inp | 1221.70 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1221.70 | NIST | |
| Ip | [1724.00; 1724.00] |
|
|
| Ip | 1724.00 | NIST | |
| Ip | 1724.00 | NIST | |
| Tboil | 494.70 | K | NIST |
| Tc | 703.70 | K | Relay (1.0) Calculated Property |
| Tfus | 223.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.42; 453.22] | 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 | -3.52980e+01 | |||
| Coefficient B | 9.42720e-01 | |||
| Coefficient C | -5.98000e-04 | |||
| Coefficient D | 1.43800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 229.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 373.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 398.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 419.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 437.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 453.22 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanamine, «alpha»-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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