Chemical Properties of N-Acetyl-D-glucosamine, aldononitrile, tetraacetate

InChI

InChI=1S/C16H22N2O9/c1-8(19)18-13(6-17)15(26-11(4)22)16(27-12(5)23)14(25-10(3)21)7-24-9(2)20/h13-16H,7H2,1-5H3,(H,18,19)

InChI Key

MMTPGHDGDMHPRG-UHFFFAOYSA-N

Formula

C16H22N2O9

SMILES

CC(=O)NC(C#N)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O

Molecular Weight¹

386.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-767.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1268.12	kJ/mol	Joback Calculated Property
ΔfusH°	42.46	kJ/mol	Joback Calculated Property
ΔvapH°	109.94	kJ/mol	Joback Calculated Property
log10WS	-1.25		Crippen Calculated Property
logPoct/wat	-0.627		Crippen Calculated Property
McVol	278.990	ml/mol	McGowan Calculated Property
Pc	1616.77	kPa	Joback Calculated Property
Inp	[2080.50; 2080.50]
Inp	2080.50		NIST
Inp	2080.50		NIST
Tboil	1075.00	K	Joback Calculated Property
Tc	1316.23	K	Joback Calculated Property
Tfus	666.30	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.09; 902.76]	J/mol×K	[1075.00; 1316.23]
Cp,gas	893.88	J/mol×K	1075.00	Joback Calculated Property
Cp,gas	898.85	J/mol×K	1115.20	Joback Calculated Property
Cp,gas	901.82	J/mol×K	1155.41	Joback Calculated Property
Cp,gas	902.76	J/mol×K	1195.61	Joback Calculated Property
Cp,gas	901.64	J/mol×K	1235.82	Joback Calculated Property
Cp,gas	898.43	J/mol×K	1276.02	Joback Calculated Property
Cp,gas	893.09	J/mol×K	1316.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Acetyl-D-glucosamine, aldononitrile, tetraacetate.

Sources

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

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