Chemical Properties of Acetophenone, PFBO # 2

InChI

InChI=1S/C15H10F5NO/c1-8(9-5-3-2-4-6-9)21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3

InChI Key

MICGAUDRWWJXQO-UHFFFAOYSA-N

Formula

C15H10F5NO

SMILES

CC(=NOCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1

Molecular Weight¹

315.24

• 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	-977.56	kJ/mol	Joback Calculated Property
ΔvapH°	58.57	kJ/mol	Joback Calculated Property
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	4.323		Crippen Calculated Property
McVol	195.090	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	1739.00		NIST
I	[2295.00; 2295.00]
I	2295.00		NIST
I	2295.00		NIST
Tboil	716.19	K	Joback Calculated Property
Tc	921.45	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, PFBO # 2.

Sources

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

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