Chemical Properties of Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate

InChI

InChI=1S/C12H16O6/c1-6(13)16-12-4-7(15-10(12)14)9-8(5-12)17-11(2,3)18-9/h7-9H,4-5H2,1-3H3

InChI Key

HDESZAGGYOKPFH-UHFFFAOYSA-N

Formula

C12H16O6

SMILES

CC(=O)OC12CC(OC1=O)C1OC(C)(C)OC1C2

Molecular Weight¹

256.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.01; 656.01]	J/mol×K	[718.82; 961.19]
Cp,gas	552.01	J/mol×K	718.82	Joback Calculated Property
Cp,gas	569.44	J/mol×K	759.21	Joback Calculated Property
Cp,gas	586.47	J/mol×K	799.61	Joback Calculated Property
Cp,gas	603.36	J/mol×K	840.00	Joback Calculated Property
Cp,gas	620.39	J/mol×K	880.40	Joback Calculated Property
Cp,gas	637.85	J/mol×K	920.79	Joback Calculated Property
Cp,gas	656.01	J/mol×K	961.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate.

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.