Chemical Properties of Fluoxetin, nor, acetyl

InChI

InChI=1S/C18H18F3NO2/c1-13(23)22-12-11-17(14-5-3-2-4-6-14)24-16-9-7-15(8-10-16)18(19,20)21/h2-10,17H,11-12H2,1H3,(H,22,23)

InChI Key

DNBFECWJDQRKGG-UHFFFAOYSA-N

Formula

C18H18F3NO2

SMILES

CC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

Molecular Weight¹

337.34

• 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	0.7132		Relay (1.0) Calculated Property
ΔfG°	-412.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-873.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.26	kJ/mol	Joback Calculated Property
ΔvapH°	100.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	4.352		Crippen Calculated Property
McVol	239.690	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[2190.00; 2190.00]
Inp	2190.00		NIST
Inp	2190.00		NIST
Tboil	639.45	K	Relay (1.0) Calculated Property
Tc	882.68	K	Relay (1.0) Calculated Property
Tfus	408.08	K	Relay (1.0) Calculated Property
Vc	0.853	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.73; 776.58]	J/mol×K	[790.18; 1004.29]
Cp,gas	706.73	J/mol×K	790.18	Joback Calculated Property
Cp,gas	720.93	J/mol×K	825.86	Joback Calculated Property
Cp,gas	734.02	J/mol×K	861.55	Joback Calculated Property
Cp,gas	746.05	J/mol×K	897.23	Joback Calculated Property
Cp,gas	757.11	J/mol×K	932.92	Joback Calculated Property
Cp,gas	767.26	J/mol×K	968.60	Joback Calculated Property
Cp,gas	776.58	J/mol×K	1004.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoxetin, nor, acetyl.

Sources

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

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