- InChI
- InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
- InChI Key
- SGUAFYQXFOLMHL-UHFFFAOYSA-N
- Formula
- C19H24N2O3
- SMILES
-
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(
C(N)=O)c1 - Molecular Weight1
- 328.41
- CAS
- 36894-69-6
- Other Names
-
- 2-Hydroxy-5-(1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl)benzamide
- 3-Carboxamido-4-hydroxy-«alpha»-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol
- 5-(1-Hydroxy-2-(1-methyl-3-phenylpropylamino)ethyl)salicylamide
- AH 5158
- Albetol
- Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-
- Ibidomide
- ScH 15719W
- 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).
- 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° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.30 | Aq. Sol... | |
| logPoct/wat | 2.135 | Crippen Calculated Property | |
| McVol | 264.320 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Tboil | 1040.95 | K | Joback Calculated Property |
| Tc | 1281.29 | K | Joback Calculated Property |
| Tfus | 463.65 | K | Aq. Sol... |
| Vc | 0.926 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.35; 954.64] | J/mol×K | [1040.95; 1281.29] | 
|
| Cp,gas | 877.35 | J/mol×K | 1040.95 | Joback Calculated Property |
| Cp,gas | 890.44 | J/mol×K | 1081.01 | Joback Calculated Property |
| Cp,gas | 903.25 | J/mol×K | 1121.06 | Joback Calculated Property |
| Cp,gas | 915.91 | J/mol×K | 1161.12 | Joback Calculated Property |
| Cp,gas | 928.60 | J/mol×K | 1201.18 | Joback Calculated Property |
| Cp,gas | 941.46 | J/mol×K | 1241.23 | Joback Calculated Property |
| Cp,gas | 954.64 | J/mol×K | 1281.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Labetalol.
Sources
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