Chemical Properties of Glucose, 2,6-diethyl, nitrile, acetylated

InChI

InChI=1S/C16H25NO8/c1-6-21-9-14(23-10(3)18)16(25-12(5)20)15(24-11(4)19)13(8-17)22-7-2/h13-16H,6-7,9H2,1-5H3/t13-,14+,15+,16+/m0/s1

InChI Key

MKZJAYYMUCSEKU-ZJIFWQFVSA-N

Formula

C16H25NO8

SMILES

CCOCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C#N)OCC

Molecular Weight¹

359.37

• 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°	-704.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1228.65	kJ/mol	Joback Calculated Property
ΔfusH°	35.35	kJ/mol	Joback Calculated Property
ΔvapH°	92.42	kJ/mol	Joback Calculated Property
log10WS	-1.60		Crippen Calculated Property
logPoct/wat	0.747		Crippen Calculated Property
McVol	271.740	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[1965.00; 1973.00]
Inp	1973.00		NIST
Inp	1968.00		NIST
Inp	1965.00		NIST
Inp	1973.00		NIST
Tboil	939.51	K	Joback Calculated Property
Tc	1152.73	K	Joback Calculated Property
Tfus	536.01	K	Joback Calculated Property
Vc	1.042	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.23; 907.58]	J/mol×K	[939.51; 1152.73]
Cp,gas	865.23	J/mol×K	939.51	Joback Calculated Property
Cp,gas	876.18	J/mol×K	975.05	Joback Calculated Property
Cp,gas	885.62	J/mol×K	1010.58	Joback Calculated Property
Cp,gas	893.52	J/mol×K	1046.12	Joback Calculated Property
Cp,gas	899.84	J/mol×K	1081.65	Joback Calculated Property
Cp,gas	904.54	J/mol×K	1117.19	Joback Calculated Property
Cp,gas	907.58	J/mol×K	1152.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glucose, 2,6-diethyl, nitrile, acetylated.

Sources

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

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