Chemical Properties of Xylobiose, permethyl

InChI

InChI=1S/C16H30O9/c1-17-9-7-24-16(14(21-5)11(9)18-2)25-10-8-23-15(22-6)13(20-4)12(10)19-3/h9-16H,7-8H2,1-6H3/t9-,10-,11+,12+,13-,14-,15-,16+/m0/s1

InChI Key

DEILOTUZCRMGNS-XHJURHDUSA-N

Formula

C16H30O9

SMILES

COC1COC(OC2COC(OC)C(OC)C2OC)C(OC)C1OC

Molecular Weight¹

366.40

• 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	[424.81; 1023.43]	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			1.05910e+02
Coefficient B			1.16072e+00
Coefficient C			1.28600e-04
Coefficient D			-3.71800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.81	J/mol×K	273.00	Calculated Property
Cp,gas	516.18	J/mol×K	353.78	Calculated Property
Cp,gas	604.08	J/mol×K	434.56	Calculated Property
Cp,gas	687.34	J/mol×K	515.33	Calculated Property
Cp,gas	764.77	J/mol×K	596.11	Calculated Property
Cp,gas	835.20	J/mol×K	676.89	Calculated Property
Cp,gas	897.46	J/mol×K	757.67	Calculated Property
Cp,gas	950.37	J/mol×K	838.44	Calculated Property
Cp,gas	992.75	J/mol×K	919.22	Calculated Property
Cp,gas	1023.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004198; 0.0001137]	Pa×s	[468.15; 692.33]	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			-1.18083e+01
Coefficient B			1.88777e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			468.15
Temperature range, max.			692.33
η	0.0004198	Pa×s	468.15	Calculated Property
η	0.0003424	Pa×s	493.06	Calculated Property
η	0.0002848	Pa×s	517.97	Calculated Property
η	0.0002410	Pa×s	542.88	Calculated Property
η	0.0002069	Pa×s	567.78	Calculated Property
η	0.0001799	Pa×s	592.69	Calculated Property
η	0.0001582	Pa×s	617.60	Calculated Property
η	0.0001405	Pa×s	642.51	Calculated Property
η	0.0001259	Pa×s	667.42	Calculated Property
η	0.0001137	Pa×s	692.33	Calculated Property

Similar Compounds

Find more compounds similar to Xylobiose, permethyl.

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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