Chemical Properties of Glucose, 2,3,6-triethyl, nitrile, acetylated

InChI

InChI=1S/C16H27NO7/c1-6-20-10-14(23-11(4)18)16(24-12(5)19)15(22-8-3)13(9-17)21-7-2/h13-16H,6-8,10H2,1-5H3/t13-,14+,15+,16+/m0/s1

InChI Key

VFGSUILNLCLZPY-ZJIFWQFVSA-N

Formula

C16H27NO7

SMILES

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

Molecular Weight¹

345.39

• 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°	-575.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1116.07	kJ/mol	Joback Calculated Property
ΔfusH°	33.75	kJ/mol	Joback Calculated Property
ΔvapH°	85.68	kJ/mol	Joback Calculated Property
log10WS	-1.82		Crippen Calculated Property
logPoct/wat	1.220		Crippen Calculated Property
McVol	270.170	ml/mol	McGowan Calculated Property
Pc	1365.67	kPa	Joback Calculated Property
Inp	[1927.00; 1936.00]
Inp	1936.00		NIST
Inp	1931.00		NIST
Inp	1927.00		NIST
Tboil	885.64	K	Joback Calculated Property
Tc	1089.27	K	Joback Calculated Property
Tfus	486.08	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.87; 913.62]	J/mol×K	[885.64; 1089.27]
Cp,gas	854.87	J/mol×K	885.64	Joback Calculated Property
Cp,gas	868.04	J/mol×K	919.58	Joback Calculated Property
Cp,gas	879.90	J/mol×K	953.52	Joback Calculated Property
Cp,gas	890.41	J/mol×K	987.45	Joback Calculated Property
Cp,gas	899.56	J/mol×K	1021.39	Joback Calculated Property
Cp,gas	907.30	J/mol×K	1055.33	Joback Calculated Property
Cp,gas	913.62	J/mol×K	1089.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glucose, 2,3,6-triethyl, nitrile, acetylated.

Sources

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

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