Chemical Properties of Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate (CAS 947-57-9)

InChI

InChI=1S/C11H12O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-7H,5H2,1-2H3

InChI Key

WFKWXJMEUOLYOS-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

COC(=O)C1=C(C(=O)OC)C2C=CC1C2

Molecular Weight¹

208.21

CAS

947-57-9

Other Names

• Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester
• Dimethyl ester of 2,5-norbornadien-2,3-dicarboxylic acid
• 2,5-Norbornadiene-2,3-dicarboxylic acid, dimethyl ester
• Dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
• 2,3-Bis(methoxycarbonyl)norbornadiene
• Dimethyl 2,5-norbornadiene-2,3-dicarboxylate
• Dimethyl norbornadiene-2,3-dicarboxylate

• 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).
• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[211.88; 495.62]	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			-1.77400e+01
Coefficient B			1.00044e+00
Coefficient C			-6.19880e-04
Coefficient D			1.32800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.88	J/mol×K	273.00	Calculated Property
Cp,gas	264.49	J/mol×K	353.78	Calculated Property
Cp,gas	310.85	J/mol×K	434.56	Calculated Property
Cp,gas	351.37	J/mol×K	515.33	Calculated Property
Cp,gas	386.49	J/mol×K	596.11	Calculated Property
Cp,gas	416.62	J/mol×K	676.89	Calculated Property
Cp,gas	442.17	J/mol×K	757.67	Calculated Property
Cp,gas	463.58	J/mol×K	838.44	Calculated Property
Cp,gas	481.25	J/mol×K	919.22	Calculated Property
Cp,gas	495.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018855; 0.0006705]	Pa×s	[357.31; 562.31]	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			-9.10944e+00
Coefficient B			1.01329e+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.			357.31
Temperature range, max.			562.31
η	0.0018855	Pa×s	357.31	Calculated Property
η	0.0015908	Pa×s	380.09	Calculated Property
η	0.0013682	Pa×s	402.87	Calculated Property
η	0.0011959	Pa×s	425.64	Calculated Property
η	0.0010597	Pa×s	448.42	Calculated Property
η	0.0009500	Pa×s	471.20	Calculated Property
η	0.0008604	Pa×s	493.98	Calculated Property
η	0.0007860	Pa×s	516.76	Calculated Property
η	0.0007235	Pa×s	539.54	Calculated Property
η	0.0006705	Pa×s	562.31	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate.

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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