Chemical Properties of Maltotriose, permethyl

InChI

InChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3

InChI Key

LNAZSHAWQACDHT-UHFFFAOYSA-N

Formula

C29H54O16

SMILES

COCC1OC(OC2C(COC)OC(OC3C(COC)OC(OC)C(OC)C3OC)C(OC)C2OC)C(OC)C(OC)C1OC

Molecular Weight¹

658.74

• 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

Property	Value	Unit	Source
ΔfusH°	98.60	kJ/mol	Joback Calculated Property
logPoct/wat	-0.378		Crippen Calculated Property
McVol	480.810	ml/mol	McGowan Calculated Property
Inp	[3095.00; 3095.00]
Inp	3095.00		NIST
Inp	3095.00		NIST

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	[785.84; 1849.66]	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			2.34443e+02
Coefficient B			1.97672e+00
Coefficient C			3.52700e-04
Coefficient D			-7.14200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	785.84	J/mol×K	273.00	Calculated Property
Cp,gas	946.28	J/mol×K	353.78	Calculated Property
Cp,gas	1101.43	J/mol×K	434.56	Calculated Property
Cp,gas	1249.04	J/mol×K	515.33	Calculated Property
Cp,gas	1386.83	J/mol×K	596.11	Calculated Property
Cp,gas	1512.56	J/mol×K	676.89	Calculated Property
Cp,gas	1623.97	J/mol×K	757.67	Calculated Property
Cp,gas	1718.80	J/mol×K	838.44	Calculated Property
Cp,gas	1794.78	J/mol×K	919.22	Calculated Property
Cp,gas	1849.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000584; 0.0000193]	Pa×s	[756.55; 1095.37]	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			-1.33297e+01
Coefficient B			2.70939e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			756.55
Temperature range, max.			1095.37
η	0.0000584	Pa×s	756.55	Calculated Property
η	0.0000493	Pa×s	794.20	Calculated Property
η	0.0000422	Pa×s	831.84	Calculated Property
η	0.0000367	Pa×s	869.49	Calculated Property
η	0.0000322	Pa×s	907.14	Calculated Property
η	0.0000286	Pa×s	944.78	Calculated Property
η	0.0000256	Pa×s	982.43	Calculated Property
η	0.0000231	Pa×s	1020.08	Calculated Property
η	0.0000211	Pa×s	1057.72	Calculated Property
η	0.0000193	Pa×s	1095.37	Calculated Property

Similar Compounds

Find more compounds similar to Maltotriose, 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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