Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl ethyl ester

InChI

InChI=1S/C18H24O6/c1-4-23-17(19)12-8-5-6-9-13(12)18(20)24-16-14(21-2)10-7-11-15(16)22-3/h7,10-13H,4-6,8-9H2,1-3H3

InChI Key

GQZIIZYLEUIBCD-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

CCOC(=O)C1CCCCC1C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

336.38

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.66	kJ/mol	Joback Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	256.480	ml/mol	McGowan Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	643.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[362.80; 868.31]	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			2.33710e+01
Coefficient B			1.37556e+00
Coefficient C			-4.66920e-04
Coefficient D			-6.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.80	J/mol×K	273.00	Calculated Property
Cp,gas	448.75	J/mol×K	353.78	Calculated Property
Cp,gas	527.73	J/mol×K	434.56	Calculated Property
Cp,gas	599.53	J/mol×K	515.33	Calculated Property
Cp,gas	663.94	J/mol×K	596.11	Calculated Property
Cp,gas	720.78	J/mol×K	676.89	Calculated Property
Cp,gas	769.84	J/mol×K	757.67	Calculated Property
Cp,gas	810.92	J/mol×K	838.44	Calculated Property
Cp,gas	843.81	J/mol×K	919.22	Calculated Property
Cp,gas	868.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005266; 0.0000668]	Pa×s	[476.34; 729.11]	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			-1.35037e+01
Coefficient B			2.83642e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			476.34
Temperature range, max.			729.11
η	0.0005266	Pa×s	476.34	Calculated Property
η	0.0003780	Pa×s	504.43	Calculated Property
η	0.0002810	Pa×s	532.51	Calculated Property
η	0.0002152	Pa×s	560.60	Calculated Property
η	0.0001690	Pa×s	588.68	Calculated Property
η	0.0001357	Pa×s	616.77	Calculated Property
η	0.0001111	Pa×s	644.85	Calculated Property
η	0.0000925	Pa×s	672.94	Calculated Property
η	0.0000781	Pa×s	701.02	Calculated Property
η	0.0000668	Pa×s	729.11	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl ethyl 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.
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