Chemical Properties of Cyclohexanecarboxylic acid, 3,4-dihydroxy-cis-3, cis-4, methyl ester

InChI

InChI=1S/C8H14O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3

InChI Key

SHNNPNZMDZPVLC-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

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

Molecular Weight¹

174.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[182.94; 475.90]	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			-2.21200e+01
Coefficient B			8.46120e-01
Coefficient C			-3.47800e-04
Coefficient D			-3.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.94	J/mol×K	273.00	Calculated Property
Cp,gas	233.67	J/mol×K	353.78	Calculated Property
Cp,gas	279.86	J/mol×K	434.56	Calculated Property
Cp,gas	321.51	J/mol×K	515.33	Calculated Property
Cp,gas	358.61	J/mol×K	596.11	Calculated Property
Cp,gas	391.16	J/mol×K	676.89	Calculated Property
Cp,gas	419.17	J/mol×K	757.67	Calculated Property
Cp,gas	442.63	J/mol×K	838.44	Calculated Property
Cp,gas	461.54	J/mol×K	919.22	Calculated Property
Cp,gas	475.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0136844; 0.0000672]	Pa×s	[342.79; 574.25]	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			-1.74818e+01
Coefficient B			4.52151e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			342.79
Temperature range, max.			574.25
η	0.0136844	Pa×s	342.79	Calculated Property
η	0.0054505	Pa×s	368.51	Calculated Property
η	0.0024480	Pa×s	394.23	Calculated Property
η	0.0012127	Pa×s	419.94	Calculated Property
η	0.0006515	Pa×s	445.66	Calculated Property
η	0.0003746	Pa×s	471.38	Calculated Property
η	0.0002280	Pa×s	497.10	Calculated Property
η	0.0001458	Pa×s	522.82	Calculated Property
η	0.0000972	Pa×s	548.53	Calculated Property
η	0.0000672	Pa×s	574.25	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 3,4-dihydroxy-cis-3, cis-4, 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.
These property values are available through the Cheméo API. A free account gives you an access key.