- InChI
- InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
- InChI Key
- RQEUFEKYXDPUSK-SSDOTTSWSA-N
- Formula
- C8H11N
- SMILES
- CC(N)c1ccccc1
- Molecular Weight1
- 121.18
- CAS
- 2627-86-3
- Other Names
-
- (-)-«alpha»-Phenethylamine
- (R)-(+)-.alpha.-methylbenzylamine
- (R)-(+)-1-phenylethylamine
- (S)-(-)-«alpha»-Methylbenzylamine
- (S)-«alpha»-Methylbenzenemethanamine
- L(-)-«alpha»-Methylbenzylamine
- L-(-)-1-Phenylethylamine
- L-(-)-«alpha»-Phenylethylamine
- L-«alpha»-methylbenzylamine
- 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).
- ρl : Liquid Density (kg/m3).
- 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 | 0.3802 | Relay (1.0) Calculated Property | |
| ΔfG° | 192.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.60 ± 0.10 | kJ/mol | NIST |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.706 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 460.20 | K | NIST |
| Tc | 679.08 | K | Relay (1.0) Calculated Property |
| Tfus | 235.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.83; 297.20] | J/mol×K | [481.21; 709.62] | 
|
| Cp,gas | 228.83 | J/mol×K | 481.21 | Joback Calculated Property |
| Cp,gas | 242.28 | J/mol×K | 519.28 | Joback Calculated Property |
| Cp,gas | 254.86 | J/mol×K | 557.35 | Joback Calculated Property |
| Cp,gas | 266.60 | J/mol×K | 595.41 | Joback Calculated Property |
| Cp,gas | 277.54 | J/mol×K | 633.48 | Joback Calculated Property |
| Cp,gas | 287.73 | J/mol×K | 671.55 | Joback Calculated Property |
| Cp,gas | 297.20 | J/mol×K | 709.62 | Joback Calculated Property |
| ρl | 965.38 | kg/m3 | 298.15 | Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T = 298.15 K |
Similar Compounds
Find more compounds similar to Benzenemethanamine, «alpha»-methyl-, (S)-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T = 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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