- InChI
- InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
- InChI Key
- AXORVIZLPOGIRG-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CC(CN)c1ccccc1
- Molecular Weight1
- 135.21
- CAS
- 582-22-9
- Other Names
-
- «beta»-Methylbenzeneethanamine
- «beta»-Methylphenethylamine
- «beta»-Methylphenylethylamine
- Phenethylamine, «beta»-methyl-
- «beta»-Phenylpropylamine
- 2-Phenylpropylamine
- 1-Propanamine, 2-phenyl-
- Propylamine, 2-phenyl-
- 1-Phenyl-1-methyl-2-amino-aethan
- 1-Phenyl-1-methyl-2-aminoethane
- 1-Amino-2-phenylpropane
- 2-Phenyl-1-propylamine
- NSC 272273
- beta-methylphenethylamine
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 201.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.749 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Inp | 1129.70 | NIST | |
| Tboil | 504.09 | K | Joback Calculated Property |
| Tc | 728.62 | K | Joback Calculated Property |
| Tfus | 285.87 | K | Joback Calculated Property |
| Vc | 0.455 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.70; 345.71] | J/mol×K | [504.09; 728.62] | 
|
| Cp,gas | 271.70 | J/mol×K | 504.09 | Joback Calculated Property |
| Cp,gas | 286.20 | J/mol×K | 541.51 | Joback Calculated Property |
| Cp,gas | 299.78 | J/mol×K | 578.93 | Joback Calculated Property |
| Cp,gas | 312.48 | J/mol×K | 616.35 | Joback Calculated Property |
| Cp,gas | 324.34 | J/mol×K | 653.78 | Joback Calculated Property |
| Cp,gas | 335.40 | J/mol×K | 691.20 | Joback Calculated Property |
| Cp,gas | 345.71 | J/mol×K | 728.62 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzeneethanamine, «beta»-methyl-.
Sources
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