Chemical Properties of Venlafaxine AC

InChI

InChI=1S/C19H29NO3/c1-15(21)23-19(12-6-5-7-13-19)18(14-20(2)3)16-8-10-17(22-4)11-9-16/h8-11,18H,5-7,12-14H2,1-4H3

InChI Key

JGOQAINEPLQITA-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

COc1ccc(C(CN(C)C)C2(OC(C)=O)CCCCC2)cc1

Molecular Weight¹

319.44

• 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	0.6905		Relay (1.0) Calculated Property
ΔfG°	0.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-528.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.63	kJ/mol	Joback Calculated Property
ΔvapH°	97.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.48	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	3.606		Crippen Calculated Property
McVol	267.240	ml/mol	McGowan Calculated Property
Pc	1678.28	kPa	Joback Calculated Property
Inp	[2110.00; 2110.00]
Inp	2110.00		NIST
Inp	2110.00		NIST
Tboil	639.75	K	Relay (1.0) Calculated Property
Tc	857.64	K	Relay (1.0) Calculated Property
Tfus	357.48	K	Relay (1.0) Calculated Property
Vc	0.935	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.06; 943.34]	J/mol×K	[796.28; 1018.33]
Cp,gas	832.06	J/mol×K	796.28	Joback Calculated Property
Cp,gas	852.62	J/mol×K	833.29	Joback Calculated Property
Cp,gas	872.20	J/mol×K	870.30	Joback Calculated Property
Cp,gas	890.92	J/mol×K	907.30	Joback Calculated Property
Cp,gas	908.93	J/mol×K	944.31	Joback Calculated Property
Cp,gas	926.36	J/mol×K	981.32	Joback Calculated Property
Cp,gas	943.34	J/mol×K	1018.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Venlafaxine AC.

Sources

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

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