Chemical Properties of 1,2-Cyclobutanedicarboxylic acid, dimethyl ester, cis-

InChI

InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6+

InChI Key

WEPHXFVXUXMCLE-OLQVQODUSA-N

Formula

C8H12O4

SMILES

COC(=O)[C@H]1CC[C@H]1C(=O)OC

Molecular Weight¹

172.18

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.80; 436.45]	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			-2.99000e+00
Coefficient B			7.69040e-01
Coefficient C			-3.40600e-04
Coefficient D			1.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.80	J/mol×K	273.00	Calculated Property
Cp,gas	226.94	J/mol×K	353.78	Calculated Property
Cp,gas	267.78	J/mol×K	434.56	Calculated Property
Cp,gas	304.37	J/mol×K	515.33	Calculated Property
Cp,gas	336.74	J/mol×K	596.11	Calculated Property
Cp,gas	364.92	J/mol×K	676.89	Calculated Property
Cp,gas	388.95	J/mol×K	757.67	Calculated Property
Cp,gas	408.85	J/mol×K	838.44	Calculated Property
Cp,gas	424.68	J/mol×K	919.22	Calculated Property
Cp,gas	436.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029928; 0.0003737]	Pa×s	[274.76; 492.48]	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			-1.05175e+01
Coefficient B			1.29300e+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.			274.76
Temperature range, max.			492.48
η	0.0029928	Pa×s	274.76	Calculated Property
η	0.0020451	Pa×s	298.95	Calculated Property
η	0.0014794	Pa×s	323.14	Calculated Property
η	0.0011196	Pa×s	347.33	Calculated Property
η	0.0008786	Pa×s	371.52	Calculated Property
η	0.0007102	Pa×s	395.71	Calculated Property
η	0.0005884	Pa×s	419.90	Calculated Property
η	0.0004975	Pa×s	444.09	Calculated Property
η	0.0004280	Pa×s	468.29	Calculated Property
η	0.0003737	Pa×s	492.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclobutanedicarboxylic acid, dimethyl ester, cis-.

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

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