Chemical Properties of 2-(hydroxymethyl)-6-(phenoxy)oxane-3,4,5-triol

InChI

InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2

InChI Key

NEZJDVYDSZTRFS-UHFFFAOYSA-N

Formula

C12H16O6

SMILES

OCC1OC(Oc2ccccc2)C(O)C(O)C1O

Molecular Weight¹

256.25

• 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	[256.50; 644.31]	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			-1.97890e+01
Coefficient B			1.15080e+00
Coefficient C			-5.16300e-04
Coefficient D			2.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.50	J/mol×K	273.00	Calculated Property
Cp,gas	324.03	J/mol×K	353.78	Calculated Property
Cp,gas	385.23	J/mol×K	434.56	Calculated Property
Cp,gas	440.19	J/mol×K	515.33	Calculated Property
Cp,gas	489.02	J/mol×K	596.11	Calculated Property
Cp,gas	531.80	J/mol×K	676.89	Calculated Property
Cp,gas	568.62	J/mol×K	757.67	Calculated Property
Cp,gas	599.59	J/mol×K	838.44	Calculated Property
Cp,gas	624.78	J/mol×K	919.22	Calculated Property
Cp,gas	644.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027282; 0.0000010]	Pa×s	[438.65; 788.84]	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			-2.37648e+01
Coefficient B			7.83461e+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.			438.65
Temperature range, max.			788.84
η	0.0027282	Pa×s	438.65	Calculated Property
η	0.0006366	Pa×s	477.56	Calculated Property
η	0.0001850	Pa×s	516.47	Calculated Property
η	0.0000639	Pa×s	555.38	Calculated Property
η	0.0000254	Pa×s	594.29	Calculated Property
η	0.0000113	Pa×s	633.20	Calculated Property
η	0.0000055	Pa×s	672.11	Calculated Property
η	0.0000029	Pa×s	711.02	Calculated Property
η	0.0000016	Pa×s	749.93	Calculated Property
η	0.0000010	Pa×s	788.84	Calculated Property

Similar Compounds

Find more compounds similar to 2-(hydroxymethyl)-6-(phenoxy)oxane-3,4,5-triol.

Sources

• 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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