Chemical Properties of Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid (CAS 15872-28-3)

InChI

InChI=1S/C9H8O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5H,3H2,(H,10,11)(H,12,13)

InChI Key

NRIMHVFWRMABGJ-UHFFFAOYSA-N

Formula

C9H8O4

SMILES

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

Molecular Weight¹

180.16

CAS

15872-28-3

Other Names

• Bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylic acid
• 2,5-Norbornadiene-2,3-dicarboxylic acid

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[164.02; 397.78]	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			-5.75400e+01
Coefficient B			1.02160e+00
Coefficient C			-8.45480e-04
Coefficient D			2.79200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.02	J/mol×K	273.00	Calculated Property
Cp,gas	210.42	J/mol×K	353.78	Calculated Property
Cp,gas	249.65	J/mol×K	434.56	Calculated Property
Cp,gas	282.60	J/mol×K	515.33	Calculated Property
Cp,gas	310.15	J/mol×K	596.11	Calculated Property
Cp,gas	333.18	J/mol×K	676.89	Calculated Property
Cp,gas	352.57	J/mol×K	757.67	Calculated Property
Cp,gas	369.22	J/mol×K	838.44	Calculated Property
Cp,gas	383.99	J/mol×K	919.22	Calculated Property
Cp,gas	397.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018948; 0.0012673]	Pa×s	[571.31; 668.31]	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			-9.04016e+00
Coefficient B			1.58341e+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.			571.31
Temperature range, max.			668.31
η	0.0018948	Pa×s	571.31	Calculated Property
η	0.0018001	Pa×s	582.09	Calculated Property
η	0.0017132	Pa×s	592.87	Calculated Property
η	0.0016334	Pa×s	603.64	Calculated Property
η	0.0015600	Pa×s	614.42	Calculated Property
η	0.0014922	Pa×s	625.20	Calculated Property
η	0.0014295	Pa×s	635.98	Calculated Property
η	0.0013714	Pa×s	646.76	Calculated Property
η	0.0013174	Pa×s	657.53	Calculated Property
η	0.0012673	Pa×s	668.31	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid.

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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