- InChI
- InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
- InChI Key
- GOEMGAFJFRBGGG-UHFFFAOYSA-N
- Formula
- C18H28N2O4
- SMILES
-
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c
(C(C)=O)c1 - Molecular Weight1
- 336.43
- CAS
- 37517-30-9
- Other Names
-
- (.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(1-methylethylamino)propoxy]butyranilide
- (.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(isopropylamino)propoxy]butyranilide
- (.+/-.)-Acebutolol
- (.+/-.)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide
- 1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane
- 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
- 5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone
- Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-
- Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (.+/-.)-
- Monitan
- Neptal
- Prent
- dl-Acebutolol
- 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° | -131.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Aq. Sol... | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | [2795.00; 2795.00] |
|
|
| Inp | 2795.00 | NIST | |
| Inp | 2795.00 | NIST | |
| Tboil | 969.68 | K | Joback Calculated Property |
| Tc | 1188.02 | K | Joback Calculated Property |
| Tfus | 393.75 | K | Aq. Sol... |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [903.15; 960.30] | J/mol×K | [969.68; 1188.02] |
|
| Cp,gas | 903.15 | J/mol×K | 969.68 | Joback Calculated Property |
| Cp,gas | 915.38 | J/mol×K | 1006.07 | Joback Calculated Property |
| Cp,gas | 926.48 | J/mol×K | 1042.46 | Joback Calculated Property |
| Cp,gas | 936.48 | J/mol×K | 1078.85 | Joback Calculated Property |
| Cp,gas | 945.43 | J/mol×K | 1115.24 | Joback Calculated Property |
| Cp,gas | 953.35 | J/mol×K | 1151.63 | Joback Calculated Property |
| Cp,gas | 960.30 | J/mol×K | 1188.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acebutolol.
Sources
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