Chemical Properties of Norfluoxetine (CAS 56161-73-0)

InChI

InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2

InChI Key

WIQRCHMSJFFONW-UHFFFAOYSA-N

Formula

C16H16F3NO

SMILES

NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

Molecular Weight¹

295.30

CAS

56161-73-0

Other Names

• 3-Phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.58	kJ/mol	Joback Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	4.174		Crippen Calculated Property
McVol	209.940	ml/mol	McGowan Calculated Property
Inp	[1868.10; 1868.10]
Inp	1868.10		NIST
Inp	1868.10		NIST
Tfus	410.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.54; 682.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.10580e+01
Coefficient B			1.47230e+00
Coefficient C			-9.98560e-04
Coefficient D			2.49700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.54	J/mol×K	273.00	Calculated Property
Cp,gas	365.89	J/mol×K	353.78	Calculated Property
Cp,gas	430.66	J/mol×K	434.56	Calculated Property
Cp,gas	486.65	J/mol×K	515.33	Calculated Property
Cp,gas	534.65	J/mol×K	596.11	Calculated Property
Cp,gas	575.45	J/mol×K	676.89	Calculated Property
Cp,gas	609.83	J/mol×K	757.67	Calculated Property
Cp,gas	638.58	J/mol×K	838.44	Calculated Property
Cp,gas	662.51	J/mol×K	919.22	Calculated Property
Cp,gas	682.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Norfluoxetine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.