Chemical Properties of Noratropine (CAS 16839-98-8)

InChI

InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2

InChI Key

ATKYNAZQGVYHIB-UHFFFAOYSA-N

Formula

C16H21NO3

SMILES

O=C(OC1CC2CCC(C1)N2)C(CO)c1ccccc1

Molecular Weight¹

275.34

CAS

16839-98-8

• 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	0.7741		Relay (1.0) Calculated Property
ΔfG°	0.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-516.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.32	kJ/mol	Joback Calculated Property
ΔvapH°	101.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-2.21		Relay (1.0) Calculated Property
logPoct/wat	1.589		Crippen Calculated Property
McVol	214.110	ml/mol	McGowan Calculated Property
Pc	2563.69	kPa	Joback Calculated Property
Inp	[2274.30; 2328.30]
Inp	2274.30		NIST
Inp	2328.30		NIST
Inp	2274.30		NIST
Inp	2328.30		NIST
Tboil	644.43	K	Relay (1.0) Calculated Property
Tc	941.26	K	Relay (1.0) Calculated Property
Tfus	455.39	K	Relay (1.0) Calculated Property
Vc	0.772	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.73; 767.77]	J/mol×K	[826.09; 1050.02]
Cp,gas	691.73	J/mol×K	826.09	Joback Calculated Property
Cp,gas	707.11	J/mol×K	863.41	Joback Calculated Property
Cp,gas	721.32	J/mol×K	900.73	Joback Calculated Property
Cp,gas	734.41	J/mol×K	938.05	Joback Calculated Property
Cp,gas	746.48	J/mol×K	975.38	Joback Calculated Property
Cp,gas	757.57	J/mol×K	1012.70	Joback Calculated Property
Cp,gas	767.77	J/mol×K	1050.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Noratropine.

Sources

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

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