- InChI
- InChI=1S/C20H27NO2/c1-15(22)21(20(2,3)4)14-6-5-9-16-10-7-12-18-17(16)11-8-13-19(18)23/h6-7,10,12,14H,5,8-9,11,13H2,1-4H3/b14-6-
- InChI Key
- ACEZFNAHCYRECY-NSIKDUERSA-N
- Formula
- C20H27NO2
- SMILES
-
CC(=O)N(C=CCCc1cccc2c1CCCC2=O)
C(C)(C)C - Molecular Weight1
- 313.43
- 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° | 209.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.79 | Crippen Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 266.860 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | 2570.00 | NIST | |
| Tboil | 844.38 | K | Joback Calculated Property |
| Tc | 1074.03 | K | Joback Calculated Property |
| Tfus | 533.24 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.20; 923.61] | J/mol×K | [844.38; 1074.03] | 
|
| Cp,gas | 834.20 | J/mol×K | 844.38 | Joback Calculated Property |
| Cp,gas | 851.73 | J/mol×K | 882.65 | Joback Calculated Property |
| Cp,gas | 868.05 | J/mol×K | 920.93 | Joback Calculated Property |
| Cp,gas | 883.29 | J/mol×K | 959.20 | Joback Calculated Property |
| Cp,gas | 897.55 | J/mol×K | 997.48 | Joback Calculated Property |
| Cp,gas | 910.95 | J/mol×K | 1035.75 | Joback Calculated Property |
| Cp,gas | 923.61 | J/mol×K | 1074.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Levobunolol - H2O, acetylated.
Sources
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