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

InChI

InChI=1S/C18H25NO4/c1-14(2)19(15(3)20)11-5-12-23-18-8-6-17(7-9-18)10-13-22-16(4)21/h5-9,11,14H,10,12-13H2,1-4H3/b11-5+

InChI Key

VNGUHMDNAOOLBY-VZUCSPMQSA-N

Formula

C18H25NO4

SMILES

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

Molecular Weight¹

319.40

Other Names

• Betaxolol, O-desalkyl - H2O, 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.64; 854.73]	J/mol×K	[811.64; 1017.86]
Cp,gas	777.64	J/mol×K	811.64	Joback Calculated Property
Cp,gas	793.03	J/mol×K	846.01	Joback Calculated Property
Cp,gas	807.36	J/mol×K	880.38	Joback Calculated Property
Cp,gas	820.65	J/mol×K	914.75	Joback Calculated Property
Cp,gas	832.95	J/mol×K	949.12	Joback Calculated Property
Cp,gas	844.30	J/mol×K	983.49	Joback Calculated Property
Cp,gas	854.73	J/mol×K	1017.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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