Chemical Properties of Glucose, 6-methyl, nitrile, acetylated

InChI

InChI=1S/C15H21NO9/c1-8(17)22-12(6-16)14(24-10(3)19)15(25-11(4)20)13(7-21-5)23-9(2)18/h12-15H,7H2,1-5H3/t12-,13+,14+,15+/m0/s1

InChI Key

DTVHZSXBTMLILO-GBJTYRQASA-N

Formula

C15H21NO9

SMILES

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

Molecular Weight¹

359.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.36	kJ/mol	Joback Calculated Property
logPoct/wat	-0.117		Crippen Calculated Property
McVol	259.220	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	[1984.00; 1990.00]
Inp	1990.00		NIST
Inp	1986.00		NIST
Inp	1984.00		NIST
Inp	1990.00		NIST
Tboil	596.34	K	Relay (1.0) Calculated Property
Tc	776.63	K	Relay (1.0) Calculated Property
Tfus	350.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.47; 839.16]	J/mol×K	[970.50; 1190.72]
Cp,gas	813.47	J/mol×K	970.50	Joback Calculated Property
Cp,gas	821.94	J/mol×K	1007.20	Joback Calculated Property
Cp,gas	828.78	J/mol×K	1043.91	Joback Calculated Property
Cp,gas	833.96	J/mol×K	1080.61	Joback Calculated Property
Cp,gas	837.44	J/mol×K	1117.32	Joback Calculated Property
Cp,gas	839.16	J/mol×K	1154.02	Joback Calculated Property
Cp,gas	839.08	J/mol×K	1190.72	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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