- InChI
- InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
- InChI Key
- PAZJSJFMUHDSTF-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- C=CCc1ccccc1OCC(O)CNC(C)C
- Molecular Weight1
- 249.35
- CAS
- 13655-52-2
- Other Names
-
- (±) 1-(o-allylphenoxy)-3-(isopropylamino)-2-propanol (alprenolol)
- (±) 1-(o-allylphenoxy)-3-(isopropylamino)-2-propanol (alprenolol)
- 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol
- 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
- 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-
- 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-
- Alfeprol
- Alpheprol
- H 56/28
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | 108.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.00 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Aq. Sol... | |
| logPoct/wat | 2.153 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 2073.65 | kPa | Joback Calculated Property |
| Inp | [1829.00; 1840.00] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Tboil | 734.83 | K | Joback Calculated Property |
| Tc | 928.30 | K | Joback Calculated Property |
| Tfus | 381.48 | K | Aq. Sol... |
| Vc | 0.808 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.12; 697.18] | J/mol×K | [734.83; 928.30] |
|
| Cp,gas | 622.12 | J/mol×K | 734.83 | Joback Calculated Property |
| Cp,gas | 636.66 | J/mol×K | 767.07 | Joback Calculated Property |
| Cp,gas | 650.34 | J/mol×K | 799.32 | Joback Calculated Property |
| Cp,gas | 663.20 | J/mol×K | 831.56 | Joback Calculated Property |
| Cp,gas | 675.28 | J/mol×K | 863.81 | Joback Calculated Property |
| Cp,gas | 686.59 | J/mol×K | 896.05 | Joback Calculated Property |
| Cp,gas | 697.18 | J/mol×K | 928.30 | Joback Calculated Property |
| ΔfusH | 35.61 | kJ/mol | 331.20 | NIST |
Similar Compounds
Find more compounds similar to Alprenolol.
Sources
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