Chemical Properties of Glucose, 2,3-dimethyl, nitrile, acetylated

InChI

InChI=1S/C14H21NO8/c1-8(16)21-7-12(22-9(2)17)14(23-10(3)18)13(20-5)11(6-15)19-4/h11-14H,7H2,1-5H3/t11-,12+,13+,14+/m0/s1

InChI Key

CBNGQMNXYPLIEM-REWJHTLYSA-N

Formula

C14H21NO8

SMILES

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

Molecular Weight¹

331.32

• 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°	-721.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1187.37	kJ/mol	Joback Calculated Property
ΔfusH°	30.17	kJ/mol	Joback Calculated Property
ΔvapH°	87.97	kJ/mol	Joback Calculated Property
log10WS	-0.76		Crippen Calculated Property
logPoct/wat	-0.034		Crippen Calculated Property
McVol	243.560	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[1967.00; 1971.00]
Inp	1971.00		NIST
Inp	1968.00		NIST
Inp	1967.00		NIST
Tboil	893.75	K	Joback Calculated Property
Tc	1102.82	K	Joback Calculated Property
Tfus	513.47	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.88; 795.52]	J/mol×K	[893.75; 1102.82]
Cp,gas	750.88	J/mol×K	893.75	Joback Calculated Property
Cp,gas	761.71	J/mol×K	928.60	Joback Calculated Property
Cp,gas	771.24	J/mol×K	963.44	Joback Calculated Property
Cp,gas	779.42	J/mol×K	998.29	Joback Calculated Property
Cp,gas	786.22	J/mol×K	1033.13	Joback Calculated Property
Cp,gas	791.60	J/mol×K	1067.98	Joback Calculated Property
Cp,gas	795.52	J/mol×K	1102.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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