Chemical Properties of N-Acetyl-D-glucosamine, tetrakis(trifluoroacetate), methyloxime (syn)

InChI

InChI=1S/C17H14F12N2O10/c1-5(32)31-6(3-30-37-2)8(40-12(35)16(24,25)26)9(41-13(36)17(27,28)29)7(39-11(34)15(21,22)23)4-38-10(33)14(18,19)20/h3,6-9H,4H2,1-2H3,(H,31,32)

InChI Key

JPSFBHXVCJIGTG-UHFFFAOYSA-N

Formula

C17H14F12N2O10

SMILES

CON=CC(NC(C)=O)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Molecular Weight¹

634.28

• 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	-3891.96	kJ/mol	Joback Calculated Property
ΔvapH°	92.43	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	1.651		Crippen Calculated Property
McVol	324.490	ml/mol	McGowan Calculated Property
Pc	1011.66	kPa	Joback Calculated Property
Inp	[1451.40; 1451.40]
Inp	1451.40		NIST
Inp	1451.40		NIST
Tboil	1073.22	K	Joback Calculated Property
Tc	1342.61	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Acetyl-D-glucosamine, tetrakis(trifluoroacetate), methyloxime (syn).

Sources

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

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