Chemical Properties of Alprenolol, N,O-di(acetyl)- (CAS 959081-88-0)

InChI

InChI=1S/C19H27NO4/c1-6-9-17-10-7-8-11-19(17)23-13-18(24-16(5)22)12-20(14(2)3)15(4)21/h6-8,10-11,14,18H,1,9,12-13H2,2-5H3

InChI Key

JULCEMKDOVJFID-UHFFFAOYSA-N

Formula

C19H27NO4

SMILES

C=CCc1ccccc1OCC(CN(C(C)=O)C(C)C)OC(C)=O

Molecular Weight¹

333.42

CAS

959081-88-0

Other Names

• Alprenolol, acetylated

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7616		Relay (1.0) Calculated Property
ΔfG°	-62.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.89	kJ/mol	Joback Calculated Property
ΔvapH°	106.39	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.982		Crippen Calculated Property
McVol	275.370	ml/mol	McGowan Calculated Property
Pc	1504.65	kPa	Joback Calculated Property
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		NIST
Tboil	645.16	K	Relay (1.0) Calculated Property
Tc	831.52	K	Relay (1.0) Calculated Property
Tfus	334.38	K	Relay (1.0) Calculated Property
Vc	0.966	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.16; 913.16]	J/mol×K	[826.60; 1031.57]
Cp,gas	835.16	J/mol×K	826.60	Joback Calculated Property
Cp,gas	850.91	J/mol×K	860.76	Joback Calculated Property
Cp,gas	865.52	J/mol×K	894.92	Joback Calculated Property
Cp,gas	879.01	J/mol×K	929.08	Joback Calculated Property
Cp,gas	891.43	J/mol×K	963.24	Joback Calculated Property
Cp,gas	902.80	J/mol×K	997.40	Joback Calculated Property
Cp,gas	913.16	J/mol×K	1031.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alprenolol, N,O-di(acetyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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