Chemical Properties of Benzofuran-2,3-dione, 2-[O-(2-acetoxyethyl)oxime], 3-(O-methyloxime), isomer 1

InChI

InChI=1S/C13H14N2O5/c1-9(16)18-7-8-19-15-13-12(14-17-2)10-5-3-4-6-11(10)20-13/h3-6H,7-8H2,1-2H3

InChI Key

MZOAULLVZMEURP-UHFFFAOYSA-N

Formula

C13H14N2O5

SMILES

CON=C1C(=NOCCOC(C)=O)Oc2ccccc21

Molecular Weight¹

278.26

• 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.
• 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	-552.63	kJ/mol	Joback Calculated Property
ΔvapH°	74.46	kJ/mol	Joback Calculated Property
log10WS	-1.91		Crippen Calculated Property
logPoct/wat	1.323		Crippen Calculated Property
McVol	195.820	ml/mol	McGowan Calculated Property
Pc	1992.98	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	846.31	K	Joback Calculated Property
Tc	1077.59	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzofuran-2,3-dione, 2-[O-(2-acetoxyethyl)oxime], 3-(O-methyloxime), isomer 1.

Sources

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

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