Chemical Properties of Trehalose (CAS 99-20-7)

InChI

InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2

InChI Key

HDTRYLNUVZCQOY-UHFFFAOYSA-N

Formula

C12H22O11

SMILES

OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Molecular Weight¹

342.30

CAS

99-20-7

Other Names

• «alpha»-D-Glucopyranoside, «alpha»-D-glucopyranosyl
• «alpha»-D-Trehalose
• «alpha»-Trehalose
• «alpha»,«alpha»-Trehalose
• D-(+)-Trehalose
• Ergot sugar
• Mycose
• Natural trehalose
• «alpha»-d-Glucopyranosyl-«alpha»-d-glucopyranoside
• «alpha»,«alpha»'-D-Trehalose
• NSC 2093

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[352.07; 868.75]	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			1.07520e+01
Coefficient B			1.37880e+00
Coefficient C			-4.52200e-04
Coefficient D			-6.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.07	J/mol×K	273.00	Calculated Property
Cp,gas	438.91	J/mol×K	353.78	Calculated Property
Cp,gas	518.90	J/mol×K	434.56	Calculated Property
Cp,gas	591.82	J/mol×K	515.33	Calculated Property
Cp,gas	657.45	J/mol×K	596.11	Calculated Property
Cp,gas	715.58	J/mol×K	676.89	Calculated Property
Cp,gas	766.00	J/mol×K	757.67	Calculated Property
Cp,gas	808.47	J/mol×K	838.44	Calculated Property
Cp,gas	842.80	J/mol×K	919.22	Calculated Property
Cp,gas	868.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[2.0238363e-08; 1.7651509e-11]	Pa×s	[767.77; 1248.87]	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			-3.60023e+01
Coefficient B			1.40399e+04
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.			767.77
Temperature range, max.			1248.87
η	2.0238363e-08	Pa×s	767.77	Calculated Property
η	6.1549854e-09	Pa×s	821.23	Calculated Property
η	2.1650324e-09	Pa×s	874.68	Calculated Property
η	8.5895437e-10	Pa×s	928.14	Calculated Property
η	3.7688150e-10	Pa×s	981.59	Calculated Property
η	1.8005011e-10	Pa×s	1035.05	Calculated Property
η	9.2489300e-11	Pa×s	1088.50	Calculated Property
η	5.0567817e-11	Pa×s	1141.96	Calculated Property
η	2.9181533e-11	Pa×s	1195.41	Calculated Property
η	1.7651509e-11	Pa×s	1248.87	Calculated Property

Similar Compounds

Find more compounds similar to Trehalose.

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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