Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2-methoxyethyl ester

InChI

InChI=1S/C15H26O5/c1-3-4-9-19-14(16)12-7-5-6-8-13(12)15(17)20-11-10-18-2/h12-13H,3-11H2,1-2H3

InChI Key

YBGKJTGAWJQJFM-UHFFFAOYSA-N

Formula

C15H26O5

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OCCOC

Molecular Weight¹

286.37

• ω : Acentric Factor.
• 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).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.91; 819.64]	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			5.90500e+00
Coefficient B			1.35164e+00
Coefficient C			-5.17600e-04
Coefficient D			-2.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.91	J/mol×K	273.00	Calculated Property
Cp,gas	418.40	J/mol×K	353.78	Calculated Property
Cp,gas	493.86	J/mol×K	434.56	Calculated Property
Cp,gas	562.21	J/mol×K	515.33	Calculated Property
Cp,gas	623.40	J/mol×K	596.11	Calculated Property
Cp,gas	677.37	J/mol×K	676.89	Calculated Property
Cp,gas	724.04	J/mol×K	757.67	Calculated Property
Cp,gas	763.35	J/mol×K	838.44	Calculated Property
Cp,gas	795.24	J/mol×K	919.22	Calculated Property
Cp,gas	819.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020190; 0.0001276]	Pa×s	[368.84; 622.28]	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			-1.29857e+01
Coefficient B			2.50095e+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.			368.84
Temperature range, max.			622.28
η	0.0020190	Pa×s	368.84	Calculated Property
η	0.0012481	Pa×s	397.00	Calculated Property
η	0.0008224	Pa×s	425.16	Calculated Property
η	0.0005706	Pa×s	453.32	Calculated Property
η	0.0004133	Pa×s	481.48	Calculated Property
η	0.0003102	Pa×s	509.64	Calculated Property
η	0.0002399	Pa×s	537.80	Calculated Property
η	0.0001903	Pa×s	565.96	Calculated Property
η	0.0001544	Pa×s	594.12	Calculated Property
η	0.0001276	Pa×s	622.28	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-methoxyethyl ester.

Sources

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

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