Chemical Properties of D-(-)-Quinic acid, tetramethyl ether, methyl ester

InChI

InChI=1S/C12H22O6/c1-14-8-6-12(18-5,11(13)17-4)7-9(15-2)10(8)16-3/h8-10H,6-7H2,1-5H3

InChI Key

LOCXZLDUCPQHSP-UHFFFAOYSA-N

Formula

C12H22O6

SMILES

COC(=O)C1(OC)CC(OC)C(OC)C(OC)C1

Molecular Weight¹

262.30

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.71	kJ/mol	Joback Calculated Property
logPoct/wat	0.383		Crippen Calculated Property
McVol	200.000	ml/mol	McGowan Calculated Property
Inp	[1574.90; 1574.90]
Inp	1574.90		NIST
Inp	1574.90		NIST

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	[302.75; 732.91]	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			2.16100e+01
Coefficient B			1.17080e+00
Coefficient C			-5.37800e-04
Coefficient D			7.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.75	J/mol×K	273.00	Calculated Property
Cp,gas	371.97	J/mol×K	353.78	Calculated Property
Cp,gas	435.26	J/mol×K	434.56	Calculated Property
Cp,gas	492.86	J/mol×K	515.33	Calculated Property
Cp,gas	545.02	J/mol×K	596.11	Calculated Property
Cp,gas	591.99	J/mol×K	676.89	Calculated Property
Cp,gas	634.01	J/mol×K	757.67	Calculated Property
Cp,gas	671.34	J/mol×K	838.44	Calculated Property
Cp,gas	704.23	J/mol×K	919.22	Calculated Property
Cp,gas	732.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-(-)-Quinic acid, tetramethyl ether, methyl ester.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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