Chemical Properties of 4-O-Acetyl-2,5-di-O-methyl-3,6-dideoxy-d-gluconitrile

InChI

InChI=1S/C10H17NO4/c1-7(13-3)10(15-8(2)12)5-9(6-11)14-4/h7,9-10H,5H2,1-4H3

InChI Key

UIOZESJFWPMERW-UHFFFAOYSA-N

Formula

C10H17NO4

SMILES

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

Molecular Weight¹

215.25

Other Names

• 4-O-Acetyl-2,5-di-O-methyl-3,6-dideoxygluconitrile

• 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 : 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°	-284.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.93	kJ/mol	Joback Calculated Property
ΔfusH°	17.76	kJ/mol	Joback Calculated Property
ΔvapH°	61.14	kJ/mol	Joback Calculated Property
log10WS	-1.25		Crippen Calculated Property
logPoct/wat	0.882		Crippen Calculated Property
McVol	172.320	ml/mol	McGowan Calculated Property
Pc	2129.52	kPa	Joback Calculated Property
I	[1335.00; 1335.00]
I	1335.00		NIST
I	1335.00		NIST
Tboil	650.09	K	Joback Calculated Property
Tc	846.02	K	Joback Calculated Property
Tfus	339.07	K	Joback Calculated Property
Vc	0.663	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.04; 522.58]	J/mol×K	[650.09; 846.02]
Cp,gas	455.04	J/mol×K	650.09	Joback Calculated Property
Cp,gas	467.93	J/mol×K	682.75	Joback Calculated Property
Cp,gas	480.19	J/mol×K	715.40	Joback Calculated Property
Cp,gas	491.80	J/mol×K	748.06	Joback Calculated Property
Cp,gas	502.74	J/mol×K	780.71	Joback Calculated Property
Cp,gas	513.01	J/mol×K	813.37	Joback Calculated Property
Cp,gas	522.58	J/mol×K	846.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-O-Acetyl-2,5-di-O-methyl-3,6-dideoxy-d-gluconitrile.

Sources

• 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.