Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-ethoxyethyl) ester

InChI

InChI=1S/C16H28O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h13-14H,3-12H2,1-2H3

InChI Key

CULNYDOUIUVMMT-UHFFFAOYSA-N

Formula

C16H28O6

SMILES

CCOCCOC(=O)C1CCCCC1C(=O)OCCOCC

Molecular Weight¹

316.39

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.22	kJ/mol	Joback Calculated Property
ΔvapH°	92.14	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.952		Crippen Calculated Property
McVol	252.060	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[2089.00; 2089.00]
Inp	2089.00		NIST
Inp	2089.00		NIST
Tboil	611.33	K	Relay (1.0) Calculated Property
Tc	802.99	K	Relay (1.0) Calculated Property
Tfus	269.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation 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	[372.53; 889.74]	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			3.04960e+01
Coefficient B			1.38344e+00
Coefficient C			-4.61000e-04
Coefficient D			-6.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.53	J/mol×K	273.00	Calculated Property
Cp,gas	459.43	J/mol×K	353.78	Calculated Property
Cp,gas	539.44	J/mol×K	434.56	Calculated Property
Cp,gas	612.35	J/mol×K	515.33	Calculated Property
Cp,gas	677.98	J/mol×K	596.11	Calculated Property
Cp,gas	736.11	J/mol×K	676.89	Calculated Property
Cp,gas	786.55	J/mol×K	757.67	Calculated Property
Cp,gas	829.10	J/mol×K	838.44	Calculated Property
Cp,gas	863.57	J/mol×K	919.22	Calculated Property
Cp,gas	889.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012095; 0.0000905]	Pa×s	[402.34; 652.96]	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			-1.34710e+01
Coefficient B			2.71720e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			402.34
Temperature range, max.			652.96
η	0.0012095	Pa×s	402.34	Calculated Property
η	0.0007812	Pa×s	430.19	Calculated Property
η	0.0005321	Pa×s	458.03	Calculated Property
η	0.0003787	Pa×s	485.88	Calculated Property
η	0.0002797	Pa×s	513.73	Calculated Property
η	0.0002131	Pa×s	541.57	Calculated Property
η	0.0001667	Pa×s	569.42	Calculated Property
η	0.0001335	Pa×s	597.27	Calculated Property
η	0.0001090	Pa×s	625.11	Calculated Property
η	0.0000905	Pa×s	652.96	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-ethoxyethyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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