- InChI
- InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
- InChI Key
- BMUKKTUHUDJSNZ-UHFFFAOYSA-N
- Formula
- C18H23NO3
- SMILES
-
CC(COc1ccccc1)NC(C)C(O)c1ccc(O
)cc1 - Molecular Weight1
- 301.38
- CAS
- 395-28-8
- Other Names
-
- Benzenemethanol, 4-hydroxy-«alpha»-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-
- Benzyl alcohol, p-hydroxy-«alpha»-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-
- Dilavase
- p-Hydroxy-N-(1-methyl-2-phenoxyethyl)norephedrine
- 1-(4-Hydroxyphenyl)-2-(1-methyl-2-phenoxyethylamino)propanol
- Vasodilian
- Isoxuprine
- 4-Hydroxy-«alpha»-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]benzyl alcohol
- 1-(p-Hydroxyphenyl)-2-(1-methyl-2-phenoxyethylamino)-1-propanol
- 2-(3-Phenoxy-2-propylamino)-1-(p-hydroxyphenyl)-1-propanol
- erythro-1-(p-Hydroxyphenyl)-2-(«alpha»-methyl-«beta»-phenoxyethylamino)propanol
- p-Hydroxy-«alpha»-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)benzyl alcohol
- isoxysuprine
- 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).
- 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° | 11.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 2.871 | Crippen Calculated Property | |
| McVol | 244.550 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [2300.00; 2330.00] |
|
|
| Inp | 2314.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Tboil | 908.67 | K | Joback Calculated Property |
| Tc | 1134.20 | K | Joback Calculated Property |
| Tfus | 547.89 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.39; 849.92] | J/mol×K | [908.67; 1134.20] |
|
| Cp,gas | 777.39 | J/mol×K | 908.67 | Joback Calculated Property |
| Cp,gas | 790.91 | J/mol×K | 946.26 | Joback Calculated Property |
| Cp,gas | 803.71 | J/mol×K | 983.85 | Joback Calculated Property |
| Cp,gas | 815.89 | J/mol×K | 1021.43 | Joback Calculated Property |
| Cp,gas | 827.58 | J/mol×K | 1059.02 | Joback Calculated Property |
| Cp,gas | 838.89 | J/mol×K | 1096.61 | Joback Calculated Property |
| Cp,gas | 849.92 | J/mol×K | 1134.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoxsuprine.
Sources
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