Chemical Properties of Atenolol diacetate

InChI

InChI=1S/C18H26N2O5/c1-12(2)20(13(3)21)10-17(25-14(4)22)11-24-16-7-5-15(6-8-16)9-18(19)23/h5-8,12,17H,9-11H2,1-4H3,(H2,19,23)

InChI Key

QRLMZEGBCRPZKY-UHFFFAOYSA-N

Formula

C18H26N2O5

SMILES

CC(=O)OC(COc1ccc(CC(N)=O)cc1)CN(C(C)=O)C(C)C

Molecular Weight¹

350.41

Other Names

• Atenolol, acetylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-220.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-701.21	kJ/mol	Joback Calculated Property
ΔfusH°	44.37	kJ/mol	Joback Calculated Property
ΔvapH°	95.57	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	1.282		Crippen Calculated Property
McVol	277.130	ml/mol	McGowan Calculated Property
Pc	1730.34	kPa	Joback Calculated Property
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	933.44	K	Joback Calculated Property
Tc	1153.33	K	Joback Calculated Property
Tfus	611.54	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.64; 940.77]	J/mol×K	[933.44; 1153.33]
Cp,gas	883.64	J/mol×K	933.44	Joback Calculated Property
Cp,gas	896.21	J/mol×K	970.09	Joback Calculated Property
Cp,gas	907.52	J/mol×K	1006.74	Joback Calculated Property
Cp,gas	917.60	J/mol×K	1043.39	Joback Calculated Property
Cp,gas	926.47	J/mol×K	1080.04	Joback Calculated Property
Cp,gas	934.19	J/mol×K	1116.68	Joback Calculated Property
Cp,gas	940.77	J/mol×K	1153.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Atenolol diacetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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