Chemical Properties of Acetophenone, 4'-methoxy, PFBO # 2

InChI

InChI=1S/C16H12F5NO2/c1-8(9-3-5-10(23-2)6-4-9)22-24-7-11-12(17)14(19)16(21)15(20)13(11)18/h3-6H,7H2,1-2H3

InChI Key

NSIBFOZGYKUYQJ-UHFFFAOYSA-N

Formula

C16H12F5NO2

SMILES

COc1ccc(C(C)=NOCc2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

345.26

• Δ_fH°_gas : Enthalpy of formation 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1141.89	kJ/mol	Joback Calculated Property
ΔvapH°	63.86	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	4.332		Crippen Calculated Property
McVol	215.050	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	1999.00		NIST
I	[2757.00; 2757.00]
I	2757.00		NIST
I	2757.00		NIST
Tboil	766.47	K	Joback Calculated Property
Tc	969.49	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 4'-methoxy, PFBO # 2.

Sources

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

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