Chemical Properties of Levobunolol, acetylated

InChI

InChI=1S/C22H31NO4/c1-15(24)23(22(3,4)5)14-18(27-16(2)25)13-12-17-8-6-10-20-19(17)9-7-11-21(20)26/h6,8,10,18H,7,9,11-14H2,1-5H3/t18-/m1/s1

InChI Key

FDNCNNFMRCDNRW-GOSISDBHSA-N

Formula

C22H31NO4

SMILES

CC(=O)OC(CCc1cccc2c1CCCC2=O)CN(C(C)=O)C(C)(C)C

Molecular Weight¹

373.49

• 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°	-90.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.42	kJ/mol	Joback Calculated Property
ΔfusH°	36.94	kJ/mol	Joback Calculated Property
ΔvapH°	89.07	kJ/mol	Joback Calculated Property
log10WS	-5.25		Crippen Calculated Property
logPoct/wat	3.717		Crippen Calculated Property
McVol	306.780	ml/mol	McGowan Calculated Property
Pc	1400.64	kPa	Joback Calculated Property
Inp	[2460.00; 2460.00]
Inp	2460.00		NIST
Inp	2460.00		NIST
Tboil	961.83	K	Joback Calculated Property
Tc	1191.16	K	Joback Calculated Property
Tfus	618.02	K	Joback Calculated Property
Vc	1.147	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.98; 1098.69]	J/mol×K	[961.83; 1191.16]
Cp,gas	1024.98	J/mol×K	961.83	Joback Calculated Property
Cp,gas	1040.30	J/mol×K	1000.05	Joback Calculated Property
Cp,gas	1054.30	J/mol×K	1038.27	Joback Calculated Property
Cp,gas	1067.06	J/mol×K	1076.49	Joback Calculated Property
Cp,gas	1078.65	J/mol×K	1114.72	Joback Calculated Property
Cp,gas	1089.17	J/mol×K	1152.94	Joback Calculated Property
Cp,gas	1098.69	J/mol×K	1191.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Levobunolol, acetylated.

Sources

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

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