- InChI
- InChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2
- InChI Key
- WQKXQJYCZMWOSD-UHFFFAOYSA-N
- Formula
- C11H15N
- SMILES
- C=CCC(N)Cc1ccccc1
- Molecular Weight1
- 161.24
- CAS
- 4255-23-6
- Other Names
-
- «alpha»-Allylphenethylamine
- Alfetamine
- Benzeneethanamine, «alpha»-2-propenyl-
- «alpha»-2-Propenyl benzeneethanamine
- 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 | 0.4345 | Relay (1.0) Calculated Property | |
| ΔfG° | 306.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 147.770 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | [1293.00; 1320.00] |
|
|
| Inp | 1320.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1293.00 | NIST | |
| I | [1814.00; 1814.00] |
|
|
| I | 1814.00 | NIST | |
| I | 1814.00 | NIST | |
| Tboil | 510.17 | K | Relay (1.0) Calculated Property |
| Tc | 719.78 | K | Relay (1.0) Calculated Property |
| Tfus | 263.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.55; 422.54] | J/mol×K | [546.53; 768.13] |
|
| Cp,gas | 343.55 | J/mol×K | 546.53 | Joback Calculated Property |
| Cp,gas | 359.08 | J/mol×K | 583.46 | Joback Calculated Property |
| Cp,gas | 373.60 | J/mol×K | 620.40 | Joback Calculated Property |
| Cp,gas | 387.15 | J/mol×K | 657.33 | Joback Calculated Property |
| Cp,gas | 399.78 | J/mol×K | 694.26 | Joback Calculated Property |
| Cp,gas | 411.56 | J/mol×K | 731.20 | Joback Calculated Property |
| Cp,gas | 422.54 | J/mol×K | 768.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aletamine.
Sources
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