Chemical Properties of «alpha»-D-Galactopyranoside, 1-(2-butyl), permethylated, # 1

InChI

InChI=1S/C14H28O6/c1-7-9(2)19-14-13(18-6)12(17-5)11(16-4)10(20-14)8-15-3/h9-14H,7-8H2,1-6H3/t9?,10-,11+,12+,13-,14+/m1/s1

InChI Key

XDPVZURCZKIZAJ-VUYBJCLPSA-N

Formula

C14H28O6

SMILES

CCC(C)O[C@H]1O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]1OC

Molecular Weight¹

292.37

• 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	[367.48; 865.87]	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			9.14520e+01
Coefficient B			1.03692e+00
Coefficient C			-3.15000e-05
Coefficient D			-2.31000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.48	J/mol×K	273.00	Calculated Property
Cp,gas	444.12	J/mol×K	353.78	Calculated Property
Cp,gas	517.15	J/mol×K	434.56	Calculated Property
Cp,gas	585.83	J/mol×K	515.33	Calculated Property
Cp,gas	649.45	J/mol×K	596.11	Calculated Property
Cp,gas	707.26	J/mol×K	676.89	Calculated Property
Cp,gas	758.54	J/mol×K	757.67	Calculated Property
Cp,gas	802.55	J/mol×K	838.44	Calculated Property
Cp,gas	838.57	J/mol×K	919.22	Calculated Property
Cp,gas	865.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007948; 0.0001356]	Pa×s	[360.68; 590.92]	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			-1.16770e+01
Coefficient B			1.63733e+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.			360.68
Temperature range, max.			590.92
η	0.0007948	Pa×s	360.68	Calculated Property
η	0.0005884	Pa×s	386.26	Calculated Property
η	0.0004522	Pa×s	411.84	Calculated Property
η	0.0003584	Pa×s	437.43	Calculated Property
η	0.0002914	Pa×s	463.01	Calculated Property
η	0.0002422	Pa×s	488.59	Calculated Property
η	0.0002050	Pa×s	514.17	Calculated Property
η	0.0001763	Pa×s	539.75	Calculated Property
η	0.0001537	Pa×s	565.34	Calculated Property
η	0.0001356	Pa×s	590.92	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-D-Galactopyranoside, 1-(2-butyl), permethylated, # 1.

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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