- InChI
- InChI=1S/C21H31NO6/c1-12(2)22(16(6)23)10-19(27-17(7)24)11-26-20-9-13(3)21(28-18(8)25)15(5)14(20)4/h9,12,19H,10-11H2,1-8H3
- InChI Key
- UVSZIEHVNXXAOV-UHFFFAOYSA-N
- Formula
- C21H31NO6
- SMILES
-
CC(=O)Oc1c(C)cc(OCC(CN(C(C)=O)
C(C)C)OC(C)=O)c(C)c1C - Molecular Weight1
- 393.47
- 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° | -396.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 3.105 | Crippen Calculated Property | |
| McVol | 315.290 | ml/mol | McGowan Calculated Property |
| Pc | 1265.55 | kPa | Joback Calculated Property |
| Inp | [2670.00; 2670.00] |
|
|
| Inp | 2670.00 | NIST | |
| Inp | 2670.00 | NIST | |
| Tboil | 966.91 | K | Joback Calculated Property |
| Tc | 1185.88 | K | Joback Calculated Property |
| Tfus | 621.88 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1021.51; 1078.59] | J/mol×K | [966.91; 1185.88] |
|
| Cp,gas | 1021.51 | J/mol×K | 966.91 | Joback Calculated Property |
| Cp,gas | 1034.90 | J/mol×K | 1003.40 | Joback Calculated Property |
| Cp,gas | 1046.73 | J/mol×K | 1039.90 | Joback Calculated Property |
| Cp,gas | 1057.01 | J/mol×K | 1076.39 | Joback Calculated Property |
| Cp,gas | 1065.75 | J/mol×K | 1112.89 | Joback Calculated Property |
| Cp,gas | 1072.94 | J/mol×K | 1149.38 | Joback Calculated Property |
| Cp,gas | 1078.59 | J/mol×K | 1185.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Metipranolol, desacetyl, acetylated.
Sources
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