Chemical Properties of 2,3-Pentanedione, PFBO # 1

InChI

InChI=1S/C19H12F10N2O2/c1-3-9(31-33-5-8-12(22)16(26)19(29)17(27)13(8)23)6(2)30-32-4-7-10(20)14(24)18(28)15(25)11(7)21/h3-5H2,1-2H3

InChI Key

QCZSYWXPYQVQDO-UHFFFAOYSA-N

Formula

C19H12F10N2O2

SMILES

CCC(=NOCc1c(F)c(F)c(F)c(F)c1F)C(C)=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

490.29

• 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	-2157.81	kJ/mol	Joback Calculated Property
ΔvapH°	72.50	kJ/mol	Joback Calculated Property
log10WS	-8.77		Crippen Calculated Property
logPoct/wat	5.953		Crippen Calculated Property
McVol	271.850	ml/mol	McGowan Calculated Property
Pc	968.07	kPa	Joback Calculated Property
Inp	[1387.00; 1387.00]
Inp	1387.00		NIST
Inp	1387.00		NIST
I	[1812.00; 1812.00]
I	1812.00		NIST
I	1812.00		NIST
Tboil	927.94	K	Joback Calculated Property
Tc	1136.13	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Pentanedione, PFBO # 1.

Sources

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

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