Chemical Properties of Nadolol, N-methyl-, trimethyl ether

InChI

InChI=1S/C21H35NO4/c1-21(2,3)22(4)13-16(23-5)14-26-18-10-8-9-15-11-19(24-6)20(25-7)12-17(15)18/h8-10,16,19-20H,11-14H2,1-7H3

InChI Key

DENMCGUBHQWEEP-UHFFFAOYSA-N

Formula

C21H35NO4

SMILES

COC(COc1cccc2c1CC(OC)C(OC)C2)CN(C)C(C)(C)C

Molecular Weight¹

365.51

• 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°	-48.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-692.26	kJ/mol	Joback Calculated Property
ΔfusH°	37.35	kJ/mol	Joback Calculated Property
ΔvapH°	75.72	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	2.939		Crippen Calculated Property
McVol	305.590	ml/mol	McGowan Calculated Property
Pc	1227.70	kPa	Joback Calculated Property
Inp	[2523.80; 2523.80]
Inp	2523.80		NIST
Inp	2523.80		NIST
Tboil	821.31	K	Joback Calculated Property
Tc	1025.74	K	Joback Calculated Property
Tfus	496.88	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[990.94; 1090.25]	J/mol×K	[821.31; 1025.74]
Cp,gas	990.94	J/mol×K	821.31	Joback Calculated Property
Cp,gas	1010.89	J/mol×K	855.38	Joback Calculated Property
Cp,gas	1029.43	J/mol×K	889.45	Joback Calculated Property
Cp,gas	1046.61	J/mol×K	923.52	Joback Calculated Property
Cp,gas	1062.44	J/mol×K	957.59	Joback Calculated Property
Cp,gas	1076.98	J/mol×K	991.67	Joback Calculated Property
Cp,gas	1090.25	J/mol×K	1025.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nadolol, N-methyl-, trimethyl ether.

Sources

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

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