Chemical Properties of 4,7-Methanoindan-2,5-dicarboxylic acid, hexahydro-

InChI

InChI=1S/C12H16O4/c13-11(14)6-3-7-5-1-9(8(7)4-6)10(2-5)12(15)16/h5-10H,1-4H2,(H,13,14)(H,15,16)

InChI Key

RKLMSTQEVORNHJ-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

O=C(O)C1CC2C3CC(C(=O)O)C(C3)C2C1

Molecular Weight¹

224.26

• 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).
• 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, Ionization energy, 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	[218.87; 620.95]	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			-1.36850e+02
Coefficient B			1.60900e+00
Coefficient C			-1.22220e-03
Coefficient D			3.71000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.87	J/mol×K	273.00	Calculated Property
Cp,gas	295.84	J/mol×K	353.78	Calculated Property
Cp,gas	362.00	J/mol×K	434.56	Calculated Property
Cp,gas	418.52	J/mol×K	515.33	Calculated Property
Cp,gas	466.57	J/mol×K	596.11	Calculated Property
Cp,gas	507.34	J/mol×K	676.89	Calculated Property
Cp,gas	541.99	J/mol×K	757.67	Calculated Property
Cp,gas	571.69	J/mol×K	838.44	Calculated Property
Cp,gas	597.62	J/mol×K	919.22	Calculated Property
Cp,gas	620.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061717; 0.0047495]	Pa×s	[583.78; 703.10]	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			-6.63121e+00
Coefficient B			9.01020e+02
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.			583.78
Temperature range, max.			703.10
η	0.0061717	Pa×s	583.78	Calculated Property
η	0.0059637	Pa×s	597.04	Calculated Property
η	0.0057714	Pa×s	610.29	Calculated Property
η	0.0055930	Pa×s	623.55	Calculated Property
η	0.0054273	Pa×s	636.81	Calculated Property
η	0.0052729	Pa×s	650.07	Calculated Property
η	0.0051289	Pa×s	663.32	Calculated Property
η	0.0049941	Pa×s	676.58	Calculated Property
η	0.0048679	Pa×s	689.84	Calculated Property
η	0.0047495	Pa×s	703.10	Calculated Property

Similar Compounds

Find more compounds similar to 4,7-Methanoindan-2,5-dicarboxylic acid, hexahydro-.

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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