- InChI
- InChI=1S/C18H29NO2/c1-14(2)19-12-16(20)13-21-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3
- InChI Key
- ABXHHEZNIJUQFM-UHFFFAOYSA-N
- Formula
- C18H29NO2
- SMILES
- CC(C)NCC(O)COc1ccccc1C1CCCCC1
- Molecular Weight1
- 291.43
- 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° | 70.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 3.472 | Crippen Calculated Property | |
| McVol | 251.580 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [2169.00; 2169.00] |
|
|
| Inp | 2169.00 | NIST | |
| Inp | 2169.00 | NIST | |
| Tboil | 826.34 | K | Joback Calculated Property |
| Tc | 1036.44 | K | Joback Calculated Property |
| Tfus | 444.65 | K | Joback Calculated Property |
| Vc | 0.928 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.39; 898.40] | J/mol×K | [826.34; 1036.44] |
|
| Cp,gas | 813.39 | J/mol×K | 826.34 | Joback Calculated Property |
| Cp,gas | 830.57 | J/mol×K | 861.36 | Joback Calculated Property |
| Cp,gas | 846.49 | J/mol×K | 896.37 | Joback Calculated Property |
| Cp,gas | 861.18 | J/mol×K | 931.39 | Joback Calculated Property |
| Cp,gas | 874.70 | J/mol×K | 966.40 | Joback Calculated Property |
| Cp,gas | 887.09 | J/mol×K | 1001.42 | Joback Calculated Property |
| Cp,gas | 898.40 | J/mol×K | 1036.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Exaprolol.
Sources
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