Chemical Properties of D-(-)-Isoascorbic acid, tetraacetate

InChI

InChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3

InChI Key

ANCAOTMXBIZJPA-UHFFFAOYSA-N

Formula

C14H16O10

SMILES

CC(=O)OCC(OC(C)=O)C1OC(=O)C(OC(C)=O)=C1OC(C)=O

Molecular Weight¹

344.27

• 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

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	[359.03; 725.04]	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			1.01661e+02
Coefficient B			1.04168e+00
Coefficient C			-3.41400e-04
Coefficient D			-7.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.03	J/mol×K	273.00	Calculated Property
Cp,gas	424.05	J/mol×K	353.78	Calculated Property
Cp,gas	483.55	J/mol×K	434.56	Calculated Property
Cp,gas	537.28	J/mol×K	515.33	Calculated Property
Cp,gas	585.01	J/mol×K	596.11	Calculated Property
Cp,gas	626.49	J/mol×K	676.89	Calculated Property
Cp,gas	661.48	J/mol×K	757.67	Calculated Property
Cp,gas	689.73	J/mol×K	838.44	Calculated Property
Cp,gas	710.99	J/mol×K	919.22	Calculated Property
Cp,gas	725.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008604; 0.0001275]	Pa×s	[487.93; 718.81]	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			-1.30036e+01
Coefficient B			2.90098e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			487.93
Temperature range, max.			718.81
η	0.0008604	Pa×s	487.93	Calculated Property
η	0.0006394	Pa×s	513.58	Calculated Property
η	0.0004887	Pa×s	539.24	Calculated Property
η	0.0003828	Pa×s	564.89	Calculated Property
η	0.0003062	Pa×s	590.54	Calculated Property
η	0.0002496	Pa×s	616.20	Calculated Property
η	0.0002068	Pa×s	641.85	Calculated Property
η	0.0001738	Pa×s	667.50	Calculated Property
η	0.0001480	Pa×s	693.15	Calculated Property
η	0.0001275	Pa×s	718.81	Calculated Property

Similar Compounds

Find more compounds similar to D-(-)-Isoascorbic acid, tetraacetate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.