Chemical Properties of Acetophenone, 3',5'-dimethyl, PFBO # 2

InChI

InChI=1S/C17H14F5NO/c1-8-4-9(2)6-11(5-8)10(3)23-24-7-12-13(18)15(20)17(22)16(21)14(12)19/h4-6H,7H2,1-3H3

InChI Key

XYRDULNMMSQCON-UHFFFAOYSA-N

Formula

C17H14F5NO

SMILES

CC(=NOCc1c(F)c(F)c(F)c(F)c1F)c1cc(C)cc(C)c1

Molecular Weight¹

343.29

• 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	-1041.78	kJ/mol	Joback Calculated Property
ΔvapH°	64.34	kJ/mol	Joback Calculated Property
log10WS	-6.76		Crippen Calculated Property
logPoct/wat	4.940		Crippen Calculated Property
McVol	223.270	ml/mol	McGowan Calculated Property
Pc	1440.25	kPa	Joback Calculated Property
Inp	[1863.00; 1863.00]
Inp	1863.00		NIST
Inp	1863.00		NIST
I	[2381.00; 2381.00]
I	2381.00		NIST
I	2381.00		NIST
Tboil	771.91	K	Joback Calculated Property
Tc	975.02	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 3',5'-dimethyl, PFBO # 2.

Sources

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

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