- InChI
- InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
- InChI Key
- ULSIYEODSMZIPX-UHFFFAOYSA-N
- Formula
- C8H11NO
- SMILES
- NCC(O)c1ccccc1
- Molecular Weight1
- 137.18
- CAS
- 7568-93-6
- Other Names
-
- (.+/-.)-Phenylethanolamine
- (RS)-2-Amino-1-phenylethanol
- 2-Amino-1-phenyl-1-ethanol
- 2-Amino-1-phenylethanol
- 2-Hydroxy-2-phenylethylamine
- 2-Phenyl-2-hydroxyethylamine
- Benzeneethanamine, «beta»-hydroxy-
- Benzeneethanamine, «beta»-hydroxy-
- Benzenemethanol, «alpha»-(aminomethyl)-
- Benzenemethanol, «alpha»-(aminomethyl)-
- Benzyl alcohol, «alpha»-(aminomethyl)-
- Benzyl alcohol, «alpha»-(aminomethyl)-
- Bisnorephedrine
- Ethanol, 2-amino-1-phenyl-
- Ethylamine, «beta»-hydroxy-«beta»-phenyl-
- Ethylamine, «beta»-hydroxy-«beta»-phenyl-
- NSC 46837
- NSC 5021
- Phenethanolamine
- Phenethylamine, «beta»-hydroxy-
- Phenethylamine, «beta»-hydroxy-
- dl-«beta»-Phenyl-«beta»-hydroxyethylamine
- dl-«beta»-Phenyl-«beta»-hydroxyethylamine
- «alpha»-(Aminomethyl)benzyl alcohol
- «beta»-Hydroxy-«beta»-phenylethylamine
- «beta»-Hydroxyphenethylamine
- «beta»-Hydroxyphenylethylamine
- «beta»-Phenethanolamine
- «beta»-Phenylethanolamine
- «alpha»-(Aminomethyl)benzyl alcohol
- «beta»-Hydroxy-«beta»-phenylethylamine
- «beta»-Hydroxyphenethylamine
- «beta»-Hydroxyphenylethylamine
- «beta»-Phenethanolamine
- «beta»-Phenylethanolamine
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6373 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.48 | Aq. Solubility Prediction | |
| logPoct/wat | 0.679 | Crippen Calculated Property | |
| McVol | 115.670 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | 515.82 | K | Relay (1.0) Calculated Property |
| Tc | 753.49 | K | Relay (1.0) Calculated Property |
| Tfus | 329.90 | K | Aq. Solubility Prediction |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.53; 331.92] | J/mol×K | [573.39; 784.75] | 
|
| Cp,gas | 276.53 | J/mol×K | 573.39 | Joback Calculated Property |
| Cp,gas | 287.40 | J/mol×K | 608.62 | Joback Calculated Property |
| Cp,gas | 297.57 | J/mol×K | 643.84 | Joback Calculated Property |
| Cp,gas | 307.08 | J/mol×K | 679.07 | Joback Calculated Property |
| Cp,gas | 315.94 | J/mol×K | 714.30 | Joback Calculated Property |
| Cp,gas | 324.21 | J/mol×K | 749.52 | Joback Calculated Property |
| Cp,gas | 331.92 | J/mol×K | 784.75 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 433.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Phenylethanolamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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