- InChI
- InChI=1S/C17H27NO2/c1-6-9-15-10-7-8-11-17(15)20-13-16(19-5)12-18(4)14(2)3/h6-8,10-11,14,16H,1,9,12-13H2,2-5H3
- InChI Key
- CPMWAIVHOZZHFS-UHFFFAOYSA-N
- Formula
- C17H27NO2
- SMILES
- C=CCc1ccccc1OCC(CN(C)C(C)C)OC
- Molecular Weight1
- 277.40
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6056 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 244.050 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | kPa | Joback Calculated Property |
| Inp | [1863.90; 1863.90] |
|
|
| Inp | 1863.90 | NIST | |
| Inp | 1863.90 | NIST | |
| Tboil | 605.59 | K | Relay (1.0) Calculated Property |
| Tc | 770.81 | K | Relay (1.0) Calculated Property |
| Tfus | 279.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.85; 774.41] | J/mol×K | [673.10; 866.72] |
|
| Cp,gas | 676.85 | J/mol×K | 673.10 | Joback Calculated Property |
| Cp,gas | 695.61 | J/mol×K | 705.37 | Joback Calculated Property |
| Cp,gas | 713.34 | J/mol×K | 737.64 | Joback Calculated Property |
| Cp,gas | 730.05 | J/mol×K | 769.91 | Joback Calculated Property |
| Cp,gas | 745.78 | J/mol×K | 802.18 | Joback Calculated Property |
| Cp,gas | 760.56 | J/mol×K | 834.45 | Joback Calculated Property |
| Cp,gas | 774.41 | J/mol×K | 866.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alprenolol, N-methyl-, methyl ether.
Sources
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