Chemical Properties of Fluoxetin, nor (carbinol), diacetyl

InChI

InChI=1S/C13H17NO3/c1-10(15)14-9-8-13(17-11(2)16)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,14,15)

InChI Key

KCPKAURIPUCAGX-UHFFFAOYSA-N

Formula

C13H17NO3

SMILES

CC(=O)NCCC(OC(C)=O)c1ccccc1

Molecular Weight¹

235.28

• 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°	-104.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-384.31	kJ/mol	Joback Calculated Property
ΔfusH°	29.43	kJ/mol	Joback Calculated Property
ΔvapH°	68.76	kJ/mol	Joback Calculated Property
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	1.817		Crippen Calculated Property
McVol	189.260	ml/mol	McGowan Calculated Property
Pc	2487.55	kPa	Joback Calculated Property
Inp	[1870.00; 1870.00]
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	703.41	K	Joback Calculated Property
Tc	916.73	K	Joback Calculated Property
Tfus	422.44	K	Joback Calculated Property
Vc	0.715	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.47; 586.23]	J/mol×K	[703.41; 916.73]
Cp,gas	515.47	J/mol×K	703.41	Joback Calculated Property
Cp,gas	529.58	J/mol×K	738.96	Joback Calculated Property
Cp,gas	542.73	J/mol×K	774.52	Joback Calculated Property
Cp,gas	554.94	J/mol×K	810.07	Joback Calculated Property
Cp,gas	566.24	J/mol×K	845.63	Joback Calculated Property
Cp,gas	576.66	J/mol×K	881.18	Joback Calculated Property
Cp,gas	586.23	J/mol×K	916.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoxetin, nor (carbinol), diacetyl.

Sources

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

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