- InChI
- InChI=1S/C24H35NO6/c1-16(26)25(24(4,5)6)14-21(31-18(3)28)15-29-23-12-11-20(30-17(2)27)13-22(23)19-9-7-8-10-19/h11-13,19,21H,7-10,14-15H2,1-6H3
- InChI Key
- SJFPHOYVGJCWQJ-UHFFFAOYSA-N
- Formula
- C24H35NO6
- SMILES
-
CC(=O)Oc1ccc(OCC(CN(C(C)=O)C(C
)(C)C)OC(C)=O)c(C2CCCC2)c1 - Molecular Weight1
- 433.54
- 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° | -309.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -945.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 4.227 | Crippen Calculated Property | |
| McVol | 346.700 | ml/mol | McGowan Calculated Property |
| Pc | 1207.31 | kPa | Joback Calculated Property |
| Inp | 2520.00 | NIST | |
| Tboil | 1038.08 | K | Joback Calculated Property |
| Tc | 1272.92 | K | Joback Calculated Property |
| Tfus | 658.97 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1193.60; 1251.58] | J/mol×K | [1038.08; 1272.92] | 
|
| Cp,gas | 1193.60 | J/mol×K | 1038.08 | Joback Calculated Property |
| Cp,gas | 1207.12 | J/mol×K | 1077.22 | Joback Calculated Property |
| Cp,gas | 1219.00 | J/mol×K | 1116.36 | Joback Calculated Property |
| Cp,gas | 1229.31 | J/mol×K | 1155.50 | Joback Calculated Property |
| Cp,gas | 1238.13 | J/mol×K | 1194.64 | Joback Calculated Property |
| Cp,gas | 1245.53 | J/mol×K | 1233.78 | Joback Calculated Property |
| Cp,gas | 1251.58 | J/mol×K | 1272.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Penbutolol hydroxy, acetylated.
Sources
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