Chemical Properties of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate

InChI

InChI=1S/C10H12O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4H,5-6H2,1-2H3

InChI Key

LHDSILFDQOEEGI-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

COC(=O)C1=C(C(=O)OC)CC=CC1

Molecular Weight¹

196.20

• 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).
• 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	[202.06; 461.19]	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			1.72300e+01
Coefficient B			7.61840e-01
Coefficient C			-3.07880e-04
Coefficient D			-1.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.06	J/mol×K	273.00	Calculated Property
Cp,gas	247.78	J/mol×K	353.78	Calculated Property
Cp,gas	289.33	J/mol×K	434.56	Calculated Property
Cp,gas	326.70	J/mol×K	515.33	Calculated Property
Cp,gas	359.85	J/mol×K	596.11	Calculated Property
Cp,gas	388.75	J/mol×K	676.89	Calculated Property
Cp,gas	413.36	J/mol×K	757.67	Calculated Property
Cp,gas	433.66	J/mol×K	838.44	Calculated Property
Cp,gas	449.61	J/mol×K	919.22	Calculated Property
Cp,gas	461.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025178; 0.0001744]	Pa×s	[325.30; 552.93]	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			-1.24689e+01
Coefficient B			2.10940e+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.			325.30
Temperature range, max.			552.93
η	0.0025178	Pa×s	325.30	Calculated Property
η	0.0015771	Pa×s	350.59	Calculated Property
η	0.0010520	Pa×s	375.89	Calculated Property
η	0.0007385	Pa×s	401.18	Calculated Property
η	0.0005407	Pa×s	426.47	Calculated Property
η	0.0004099	Pa×s	451.76	Calculated Property
η	0.0003200	Pa×s	477.06	Calculated Property
η	0.0002561	Pa×s	502.35	Calculated Property
η	0.0002094	Pa×s	527.64	Calculated Property
η	0.0001744	Pa×s	552.93	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate.

Sources

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

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