Chemical Properties of Cyclohexanecarboxylic acid, 3,4-dihydroxy-, cis-3,cis-4 (CAS 333364-12-8)

InChI

InChI=1S/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)

InChI Key

PTPROPUVXIZJPL-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

O=C(O)C1CCC(O)C(O)C1

Molecular Weight¹

160.17

CAS

333364-12-8

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[159.01; 426.98]	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			-4.20200e+01
Coefficient B			8.56700e-01
Coefficient C			-4.60600e-04
Coefficient D			7.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.01	J/mol×K	273.00	Calculated Property
Cp,gas	206.64	J/mol×K	353.78	Calculated Property
Cp,gas	249.27	J/mol×K	434.56	Calculated Property
Cp,gas	287.12	J/mol×K	515.33	Calculated Property
Cp,gas	320.44	J/mol×K	596.11	Calculated Property
Cp,gas	349.44	J/mol×K	676.89	Calculated Property
Cp,gas	374.37	J/mol×K	757.67	Calculated Property
Cp,gas	395.45	J/mol×K	838.44	Calculated Property
Cp,gas	412.91	J/mol×K	919.22	Calculated Property
Cp,gas	426.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011448; 0.0000558]	Pa×s	[449.79; 627.07]	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			-1.74588e+01
Coefficient B			4.80657e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.79
Temperature range, max.			627.07
η	0.0011448	Pa×s	449.79	Calculated Property
η	0.0007312	Pa×s	469.49	Calculated Property
η	0.0004842	Pa×s	489.19	Calculated Property
η	0.0003310	Pa×s	508.88	Calculated Property
η	0.0002328	Pa×s	528.58	Calculated Property
η	0.0001679	Pa×s	548.28	Calculated Property
η	0.0001239	Pa×s	567.98	Calculated Property
η	0.0000933	Pa×s	587.67	Calculated Property
η	0.0000716	Pa×s	607.37	Calculated Property
η	0.0000558	Pa×s	627.07	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 3,4-dihydroxy-, cis-3,cis-4.

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

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