Chemical Properties of Fluoxetine, N-acetyl (CAS 202122-33-6)

InChI

InChI=1S/C19H20F3NO2/c1-14(24)23(2)13-12-18(15-6-4-3-5-7-15)25-17-10-8-16(9-11-17)19(20,21)22/h3-11,18H,12-13H2,1-2H3

InChI Key

VFRCUAKESBDNII-UHFFFAOYSA-N

Formula

C19H20F3NO2

SMILES

CC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

Molecular Weight¹

351.36

CAS

202122-33-6

Other Names

• Fluoxetin, acetyl
• Fluoxetine, acetyl

• 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°	-382.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.53	kJ/mol	Joback Calculated Property
ΔfusH°	36.77	kJ/mol	Joback Calculated Property
ΔvapH°	70.17	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	4.694		Crippen Calculated Property
McVol	253.780	ml/mol	McGowan Calculated Property
Pc	1653.80	kPa	Joback Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		NIST
Tboil	775.33	K	Joback Calculated Property
Tc	984.76	K	Joback Calculated Property
Tfus	463.07	K	Joback Calculated Property
Vc	0.963	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.65; 823.97]	J/mol×K	[775.33; 984.76]
Cp,gas	747.65	J/mol×K	775.33	Joback Calculated Property
Cp,gas	763.01	J/mol×K	810.24	Joback Calculated Property
Cp,gas	777.22	J/mol×K	845.14	Joback Calculated Property
Cp,gas	790.34	J/mol×K	880.05	Joback Calculated Property
Cp,gas	802.45	J/mol×K	914.95	Joback Calculated Property
Cp,gas	813.64	J/mol×K	949.86	Joback Calculated Property
Cp,gas	823.97	J/mol×K	984.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoxetine, N-acetyl.

Sources

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

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