Chemical Properties of «beta»-D-Glycopyranoside, 1-cyclohexyl, permethylated

InChI

InChI=1S/C16H30O6/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(22-12)21-11-8-6-5-7-9-11/h11-16H,5-10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1

InChI Key

KBMAHMXTIVYWOQ-IBEHDNSVSA-N

Formula

C16H30O6

SMILES

COCC1OC(OC2CCCCC2)C(OC)C(OC)C1OC

Molecular Weight¹

318.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.11; 953.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.57110e+01
Coefficient B			1.34308e+00
Coefficient C			-2.18100e-04
Coefficient D			-1.97100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.11	J/mol×K	273.00	Calculated Property
Cp,gas	464.84	J/mol×K	353.78	Calculated Property
Cp,gas	551.99	J/mol×K	434.56	Calculated Property
Cp,gas	632.95	J/mol×K	515.33	Calculated Property
Cp,gas	707.08	J/mol×K	596.11	Calculated Property
Cp,gas	773.77	J/mol×K	676.89	Calculated Property
Cp,gas	832.39	J/mol×K	757.67	Calculated Property
Cp,gas	882.31	J/mol×K	838.44	Calculated Property
Cp,gas	922.92	J/mol×K	919.22	Calculated Property
Cp,gas	953.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007721; 0.0001310]	Pa×s	[405.60; 650.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18807e+01
Coefficient B			1.91210e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			405.60
Temperature range, max.			650.25
η	0.0007721	Pa×s	405.60	Calculated Property
η	0.0005742	Pa×s	432.78	Calculated Property
η	0.0004423	Pa×s	459.97	Calculated Property
η	0.0003507	Pa×s	487.15	Calculated Property
η	0.0002850	Pa×s	514.33	Calculated Property
η	0.0002365	Pa×s	541.52	Calculated Property
η	0.0001998	Pa×s	568.70	Calculated Property
η	0.0001713	Pa×s	595.88	Calculated Property
η	0.0001490	Pa×s	623.07	Calculated Property
η	0.0001310	Pa×s	650.25	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-D-Glycopyranoside, 1-cyclohexyl, permethylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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