Chemical Properties of D-(tetrahydro-2,3,4-trihydroxy-5-oxofuran-2-yl)glycollic acid (CAS 389-36-6)

InChI

InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1

InChI Key

XECPAIJNBXCOBO-MMPJQOAZSA-N

Formula

C6H8O7

SMILES

O=C1OC(C(O)C(=O)O)C(O)C1O

Molecular Weight¹

192.12

CAS

389-36-6

Other Names

• D-Glucaric acid 1,4-lactone

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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 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	[181.00; 397.37]	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			3.27000e+00
Coefficient B			7.75600e-01
Coefficient C			-4.84400e-04
Coefficient D			1.02900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.00	J/mol×K	273.00	Calculated Property
Cp,gas	221.59	J/mol×K	353.78	Calculated Property
Cp,gas	257.28	J/mol×K	434.56	Calculated Property
Cp,gas	288.40	J/mol×K	515.33	Calculated Property
Cp,gas	315.28	J/mol×K	596.11	Calculated Property
Cp,gas	338.24	J/mol×K	676.89	Calculated Property
Cp,gas	357.60	J/mol×K	757.67	Calculated Property
Cp,gas	373.69	J/mol×K	838.44	Calculated Property
Cp,gas	386.84	J/mol×K	919.22	Calculated Property
Cp,gas	397.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002910; 0.0000189]	Pa×s	[537.23; 703.20]	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			-1.97189e+01
Coefficient B			6.21943e+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.			537.23
Temperature range, max.			703.20
η	0.0002910	Pa×s	537.23	Calculated Property
η	0.0001982	Pa×s	555.67	Calculated Property
η	0.0001383	Pa×s	574.11	Calculated Property
η	0.0000988	Pa×s	592.55	Calculated Property
η	0.0000719	Pa×s	610.99	Calculated Property
η	0.0000534	Pa×s	629.44	Calculated Property
η	0.0000403	Pa×s	647.88	Calculated Property
η	0.0000309	Pa×s	666.32	Calculated Property
η	0.0000240	Pa×s	684.76	Calculated Property
η	0.0000189	Pa×s	703.20	Calculated Property

Similar Compounds

Find more compounds similar to D-(tetrahydro-2,3,4-trihydroxy-5-oxofuran-2-yl)glycollic acid.

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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