Chemical Properties of Maltotetraose, permethyl

InChI

InChI=1S/C38H70O21/c1-39-15-19-23(43-5)27(44-6)32(49-11)36(54-19)58-25-21(17-41-3)56-38(34(51-13)29(25)46-8)59-26-22(18-42-4)55-37(33(50-12)30(26)47-9)57-24-20(16-40-2)53-35(52-14)31(48-10)28(24)45-7/h19-38H,15-18H2,1-14H3/t19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34-,35?,36+,37+,38+/m1/s1

InChI Key

UQGAYEZMOBQZPO-IMQDJZNJSA-N

Formula

C38H70O21

SMILES

COC[C@H]1O[C@@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@H]4[C@H](OC)[C@@H](OC)C(OC)O[C@@H]4COC)O[C@@H]3COC)O[C@@H]2COC)[C@H](OC)[C@@H](OC)[C@@H]1OC

Molecular Weight¹

862.96

• 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	[1026.69; 2419.21]	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			3.03734e+02
Coefficient B			2.59208e+00
Coefficient C			4.61600e-04
Coefficient D			-9.38200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1026.69	J/mol×K	273.00	Calculated Property
Cp,gas	1236.99	J/mol×K	353.78	Calculated Property
Cp,gas	1440.32	J/mol×K	434.56	Calculated Property
Cp,gas	1633.71	J/mol×K	515.33	Calculated Property
Cp,gas	1814.19	J/mol×K	596.11	Calculated Property
Cp,gas	1978.81	J/mol×K	676.89	Calculated Property
Cp,gas	2124.59	J/mol×K	757.67	Calculated Property
Cp,gas	2248.56	J/mol×K	838.44	Calculated Property
Cp,gas	2347.76	J/mol×K	919.22	Calculated Property
Cp,gas	2419.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000147; 0.0000037]	Pa×s	[963.89; 1589.37]	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			-1.46576e+01
Coefficient B			3.40557e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			963.89
Temperature range, max.			1589.37
η	0.0000147	Pa×s	963.89	Calculated Property
η	0.0000116	Pa×s	1033.39	Calculated Property
η	0.0000094	Pa×s	1102.88	Calculated Property
η	0.0000079	Pa×s	1172.38	Calculated Property
η	0.0000067	Pa×s	1241.88	Calculated Property
η	0.0000058	Pa×s	1311.38	Calculated Property
η	0.0000051	Pa×s	1380.87	Calculated Property
η	0.0000045	Pa×s	1450.37	Calculated Property
η	0.0000040	Pa×s	1519.87	Calculated Property
η	0.0000037	Pa×s	1589.37	Calculated Property

Similar Compounds

Find more compounds similar to Maltotetraose, 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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