Chemical Properties of Isomaltotetraose, permethyl

InChI

InChI=1S/C37H68O21/c1-39-16-19-23(43-5)29(47-9)34(51-13)57-33(19)55-26(21(42-4)17-40-2)25(56-36-31(49-11)27(45-7)24(44-6)22(54-36)18-41-3)20(15-38)53-37-32(50-12)28(46-8)30(48-10)35(52-14)58-37/h15,19-37H,16-18H2,1-14H3/t19-,20?,21-,22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+/m0/s1

InChI Key

IHGBCBCBAWXHHN-QUOYLCKYSA-N

Formula

C37H68O21

SMILES

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

Molecular Weight¹

848.93

• 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	[1020.82; 2329.32]	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			3.33843e+02
Coefficient B			2.48208e+00
Coefficient C			3.55700e-04
Coefficient D			-8.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1020.82	J/mol×K	273.00	Calculated Property
Cp,gas	1219.17	J/mol×K	353.78	Calculated Property
Cp,gas	1410.49	J/mol×K	434.56	Calculated Property
Cp,gas	1592.13	J/mol×K	515.33	Calculated Property
Cp,gas	1761.41	J/mol×K	596.11	Calculated Property
Cp,gas	1915.68	J/mol×K	676.89	Calculated Property
Cp,gas	2052.27	J/mol×K	757.67	Calculated Property
Cp,gas	2168.52	J/mol×K	838.44	Calculated Property
Cp,gas	2261.75	J/mol×K	919.22	Calculated Property
Cp,gas	2329.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000058; 0.0000008]	Pa×s	[917.63; 1609.15]	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			-1.67420e+01
Coefficient B			4.29494e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			917.63
Temperature range, max.			1609.15
η	0.0000058	Pa×s	917.63	Calculated Property
η	0.0000040	Pa×s	994.47	Calculated Property
η	0.0000030	Pa×s	1071.30	Calculated Property
η	0.0000023	Pa×s	1148.14	Calculated Property
η	0.0000018	Pa×s	1224.97	Calculated Property
η	0.0000015	Pa×s	1301.81	Calculated Property
η	0.0000012	Pa×s	1378.64	Calculated Property
η	0.0000010	Pa×s	1455.48	Calculated Property
η	0.0000009	Pa×s	1532.31	Calculated Property
η	0.0000008	Pa×s	1609.15	Calculated Property

Similar Compounds

Find more compounds similar to Isomaltotetraose, 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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