Chemical Properties of ALPHA-D-GLUCOHEPTONIC ACID GAMMA-LACTONE

InChI

InChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2

InChI Key

VIVCRCODGMFTFY-UHFFFAOYSA-N

Formula

C7H12O7

SMILES

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

Molecular Weight¹

208.17

Other Names

• 3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)oxolan-2-one
• D-glycero-D-gulo-heptono-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	[213.28; 476.06]	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			6.66100e+00
Coefficient B			8.93700e-01
Coefficient C			-5.30200e-04
Coefficient D			1.05900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.28	J/mol×K	273.00	Calculated Property
Cp,gas	261.16	J/mol×K	353.78	Calculated Property
Cp,gas	303.59	J/mol×K	434.56	Calculated Property
Cp,gas	340.90	J/mol×K	515.33	Calculated Property
Cp,gas	373.43	J/mol×K	596.11	Calculated Property
Cp,gas	401.51	J/mol×K	676.89	Calculated Property
Cp,gas	425.48	J/mol×K	757.67	Calculated Property
Cp,gas	445.67	J/mol×K	838.44	Calculated Property
Cp,gas	462.42	J/mol×K	919.22	Calculated Property
Cp,gas	476.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003547; 0.0000007]	Pa×s	[494.54; 750.76]	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			-2.61867e+01
Coefficient B			9.02165e+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.			494.54
Temperature range, max.			750.76
η	0.0003547	Pa×s	494.54	Calculated Property
η	0.0001314	Pa×s	523.01	Calculated Property
η	0.0000539	Pa×s	551.48	Calculated Property
η	0.0000242	Pa×s	579.95	Calculated Property
η	0.0000117	Pa×s	608.42	Calculated Property
η	0.0000060	Pa×s	636.89	Calculated Property
η	0.0000033	Pa×s	665.35	Calculated Property
η	0.0000019	Pa×s	693.82	Calculated Property
η	0.0000011	Pa×s	722.29	Calculated Property
η	0.0000007	Pa×s	750.76	Calculated Property

Similar Compounds

Find more compounds similar to ALPHA-D-GLUCOHEPTONIC ACID GAMMA-LACTONE.

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
• NIST Webbook

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