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

InChI

InChI=1S/C13H21NO7/c1-8(15)20-11(7-17-3)13(21-9(2)16)12(19-5)10(6-14)18-4/h10-13H,7H2,1-5H3/t10-,11+,12+,13+/m0/s1

InChI Key

ZRJVYQQKDYYEET-UMSGYPCISA-N

Formula

C13H21NO7

SMILES

COCC(OC(C)=O)C(OC(C)=O)C(OC)C(C#N)OC

Molecular Weight¹

303.31

• 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°	-600.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1054.15	kJ/mol	Joback Calculated Property
ΔfusH°	25.98	kJ/mol	Joback Calculated Property
ΔvapH°	79.00	kJ/mol	Joback Calculated Property
log10WS	-0.57		Crippen Calculated Property
logPoct/wat	0.050		Crippen Calculated Property
McVol	227.900	ml/mol	McGowan Calculated Property
Pc	1710.36	kPa	Joback Calculated Property
Inp	[1839.00; 1844.00]
Inp	1844.00		NIST
Inp	1841.00		NIST
Inp	1839.00		NIST
Tboil	817.00	K	Joback Calculated Property
Tc	1017.55	K	Joback Calculated Property
Tfus	452.27	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.69; 742.68]	J/mol×K	[817.00; 1017.55]
Cp,gas	683.69	J/mol×K	817.00	Joback Calculated Property
Cp,gas	696.28	J/mol×K	850.43	Joback Calculated Property
Cp,gas	707.81	J/mol×K	883.85	Joback Calculated Property
Cp,gas	718.26	J/mol×K	917.28	Joback Calculated Property
Cp,gas	727.57	J/mol×K	950.70	Joback Calculated Property
Cp,gas	735.73	J/mol×K	984.13	Joback Calculated Property
Cp,gas	742.68	J/mol×K	1017.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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