Chemical Properties of 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene

InChI

InChI=1S/C20H29NO6/c1-14(2)21(15(3)22)12-20(27-17(5)24)13-26-19-8-6-18(7-9-19)10-11-25-16(4)23/h6-9,14,20H,10-13H2,1-5H3

InChI Key

FNJVJYPQOZGHTN-UHFFFAOYSA-N

Formula

C20H29NO6

SMILES

CC(=O)OCCc1ccc(OCC(CN(C(C)=O)C(C)C)OC(C)=O)cc1

Molecular Weight¹

379.45

Other Names

• Betaxolol, O-desalkyl, 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°	-375.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-908.50	kJ/mol	Joback Calculated Property
ΔfusH°	45.54	kJ/mol	Joback Calculated Property
ΔvapH°	91.79	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	2.360		Crippen Calculated Property
McVol	301.200	ml/mol	McGowan Calculated Property
Pc	1402.74	kPa	Joback Calculated Property
Inp	[2620.00; 2620.00]
Inp	2620.00		NIST
Inp	2620.00		NIST
Tboil	929.09	K	Joback Calculated Property
Tc	1142.66	K	Joback Calculated Property
Tfus	573.05	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[965.24; 1027.22]	J/mol×K	[929.09; 1142.66]
Cp,gas	965.24	J/mol×K	929.09	Joback Calculated Property
Cp,gas	978.98	J/mol×K	964.68	Joback Calculated Property
Cp,gas	991.34	J/mol×K	1000.28	Joback Calculated Property
Cp,gas	1002.31	J/mol×K	1035.87	Joback Calculated Property
Cp,gas	1011.94	J/mol×K	1071.47	Joback Calculated Property
Cp,gas	1020.23	J/mol×K	1107.06	Joback Calculated Property
Cp,gas	1027.22	J/mol×K	1142.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene.

Sources

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

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