- InChI
- InChI=1S/C20H29NO4/c1-6-13-24-20-10-8-7-9-18(20)11-12-19(25-17(5)23)14-21(15(2)3)16(4)22/h6-10,15,19H,1,11-14H2,2-5H3
- InChI Key
- XOARXCAMBBJEOR-UHFFFAOYSA-N
- Formula
- C20H29NO4
- SMILES
-
C=CCOc1ccccc1CCC(CN(C(C)=O)C(C
)C)OC(C)=O - Molecular Weight1
- 347.45
- 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 | 0.8172 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.373 | Crippen Calculated Property | |
| McVol | 289.460 | ml/mol | McGowan Calculated Property |
| Pc | 1398.55 | kPa | Joback Calculated Property |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 653.48 | K | Relay (1.0) Calculated Property |
| Tc | 841.90 | K | Relay (1.0) Calculated Property |
| Tfus | 330.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [893.67; 972.27] | J/mol×K | [849.48; 1054.40] |
|
| Cp,gas | 893.67 | J/mol×K | 849.48 | Joback Calculated Property |
| Cp,gas | 909.59 | J/mol×K | 883.63 | Joback Calculated Property |
| Cp,gas | 924.33 | J/mol×K | 917.79 | Joback Calculated Property |
| Cp,gas | 937.93 | J/mol×K | 951.94 | Joback Calculated Property |
| Cp,gas | 950.43 | J/mol×K | 986.09 | Joback Calculated Property |
| Cp,gas | 961.87 | J/mol×K | 1020.24 | Joback Calculated Property |
| Cp,gas | 972.27 | J/mol×K | 1054.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxprenolol, acetylated.
Sources
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