Chemical Properties of Propranolol hydroxy - H2O, isomer I, acetylated

Propranolol hydroxy - H2O, isomer I, acetylated

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InChI
InChI=1S/C20H23NO4/c1-14(2)21(15(3)22)12-7-13-24-20-18-9-6-5-8-17(18)10-11-19(20)25-16(4)23/h5-12,14H,13H2,1-4H3/b12-7-
InChI Key
IBKMDSUMGXQZFV-GHXNOFRVSA-N
Formula
C20H23NO4
SMILES
CC(=O)Oc1ccc2ccccc2c1OCC=CN(C(C)=O)C(C)C
Molecular Weight1
341.40
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Physical Properties

Property Value Unit Source
Δf 38.04 kJ/mol Joback Calculated Property
Δfgas -361.60 kJ/mol Joback Calculated Property
Δfus 43.11 kJ/mol Joback Calculated Property
Δvap 85.28 kJ/mol Joback Calculated Property
log10WS -5.45 Crippen Calculated Property
logPoct/wat 3.914 Crippen Calculated Property
McVol 270.000 ml/mol McGowan Calculated Property
Pc 1676.91 kPa Joback Calculated Property
Inp 2750.00 NIST
Tboil 881.36 K Joback Calculated Property
Tc 1102.59 K Joback Calculated Property
Tfus 556.03 K Joback Calculated Property
Vc 1.010 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [816.67; 887.90] J/mol×K [881.36; 1102.59] Show Hide
Cp,gas 816.67 J/mol×K 881.36 Joback Calculated Property
Cp,gas 830.86 J/mol×K 918.23 Joback Calculated Property
Cp,gas 844.03 J/mol×K 955.10 Joback Calculated Property
Cp,gas 856.24 J/mol×K 991.97 Joback Calculated Property
Cp,gas 867.58 J/mol×K 1028.85 Joback Calculated Property
Cp,gas 878.10 J/mol×K 1065.72 Joback Calculated Property
Cp,gas 887.90 J/mol×K 1102.59 Joback Calculated Property

Similar Compounds

Propranolol hydroxy - H2O, isomer II, acetylated. Propranolol - H2O, acetylated. Toliprolol - H2O, acetylated. Metoprolol - H2O, acetylated. 1-(2-Acetoxyethyl)-4-[3-acetyl(isopropyl)aminoprop-2-enyloxy]benzene. Metipranolol desacetyl - H2O, acetylated. Sterigmatocystin, O-tert.-butyldimethylsilyl-. Propafenone hydroxy - H2O, acetylated. Cytidine, dimethyl-TMS derivative. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. DILTIAZEM, M(DESAMINO-HO-), AC. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. Sterigmatocystin, trimethylsilyl ether. Fluspirilene. 1-Methyl-3-(beta-morpholinoethyl)-3-phenyloxindole.

Find more compounds similar to Propranolol hydroxy - H2O, isomer I, acetylated.

Sources

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