- InChI
- InChI=1S/C22H33NO4/c1-16(24)23(22(3,4)5)14-19(27-17(2)25)15-26-21-13-9-8-12-20(21)18-10-6-7-11-18/h8-9,12-13,18-19H,6-7,10-11,14-15H2,1-5H3
- InChI Key
- PSAZFLFWDPVWMY-UHFFFAOYSA-N
- Formula
- C22H33NO4
- SMILES
-
CC(=O)OC(COc1ccccc1C1CCCC1)CN(
C(C)=O)C(C)(C)C - Molecular Weight1
- 375.50
- Other Names
-
- Penbutolol, acetylated
- 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° | -82.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.302 | Crippen Calculated Property | |
| McVol | 311.080 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [2205.00; 2205.00] |
|
|
| Inp | 2205.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Tboil | 911.05 | K | Joback Calculated Property |
| Tc | 1132.46 | K | Joback Calculated Property |
| Tfus | 551.75 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.44; 1115.09] | J/mol×K | [911.05; 1132.46] |
|
| Cp,gas | 1032.44 | J/mol×K | 911.05 | Joback Calculated Property |
| Cp,gas | 1049.48 | J/mol×K | 947.95 | Joback Calculated Property |
| Cp,gas | 1065.11 | J/mol×K | 984.85 | Joback Calculated Property |
| Cp,gas | 1079.40 | J/mol×K | 1021.76 | Joback Calculated Property |
| Cp,gas | 1092.44 | J/mol×K | 1058.66 | Joback Calculated Property |
| Cp,gas | 1104.31 | J/mol×K | 1095.56 | Joback Calculated Property |
| Cp,gas | 1115.09 | J/mol×K | 1132.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetoxy-3-(2-cyclopentylphenoxy)propylamine, N-acetyl-N-tert butyl-.
Sources
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