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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-607.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1056.15	kJ/mol	Joback Calculated Property
ΔfusH°	23.13	kJ/mol	Joback Calculated Property
ΔvapH°	59.45	kJ/mol	Joback Calculated Property
log10WS	-0.40		Crippen Calculated Property
logPoct/wat	0.383		Crippen Calculated Property
McVol	200.000	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[1574.90; 1574.90]
Inp	1574.90		NIST
Inp	1574.90		NIST
Tboil	645.71	K	Joback Calculated Property
Tc	844.87	K	Joback Calculated Property
Tfus	404.64	K	Joback Calculated Property
Vc	0.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.22; 671.81]	J/mol×K	[645.71; 844.87]
Cp,gas	571.22	J/mol×K	645.71	Joback Calculated Property
Cp,gas	589.90	J/mol×K	678.90	Joback Calculated Property
Cp,gas	607.79	J/mol×K	712.10	Joback Calculated Property
Cp,gas	624.91	J/mol×K	745.29	Joback Calculated Property
Cp,gas	641.28	J/mol×K	778.48	Joback Calculated Property
Cp,gas	656.90	J/mol×K	811.67	Joback Calculated Property
Cp,gas	671.81	J/mol×K	844.87	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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