Chemical Properties of Norapoatropine (CAS 78886-97-2)

InChI

InChI=1S/C16H19NO2/c1-11(12-5-3-2-4-6-12)16(18)19-15-9-13-7-8-14(10-15)17-13/h2-6,13-15,17H,1,7-10H2

InChI Key

RDIVNYCOUBHXRH-UHFFFAOYSA-N

Formula

C16H19NO2

SMILES

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

Molecular Weight¹

257.33

CAS

78886-97-2

• 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	0.6214		Relay (1.0) Calculated Property
ΔfG°	218.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.16	kJ/mol	Joback Calculated Property
ΔvapH°	90.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-2.61		Relay (1.0) Calculated Property
logPoct/wat	2.526		Crippen Calculated Property
McVol	203.940	ml/mol	McGowan Calculated Property
Pc	2431.44	kPa	Joback Calculated Property
Inp	[2160.80; 2160.80]
Inp	2160.80		NIST
Inp	2160.80		NIST
Tboil	623.69	K	Relay (1.0) Calculated Property
Tc	894.26	K	Relay (1.0) Calculated Property
Tfus	419.32	K	Relay (1.0) Calculated Property
Vc	0.743	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.88; 698.86]	J/mol×K	[730.91; 975.44]
Cp,gas	604.88	J/mol×K	730.91	Joback Calculated Property
Cp,gas	623.99	J/mol×K	771.67	Joback Calculated Property
Cp,gas	641.60	J/mol×K	812.42	Joback Calculated Property
Cp,gas	657.79	J/mol×K	853.18	Joback Calculated Property
Cp,gas	672.67	J/mol×K	893.93	Joback Calculated Property
Cp,gas	686.33	J/mol×K	934.69	Joback Calculated Property
Cp,gas	698.86	J/mol×K	975.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norapoatropine.

Sources

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

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