Chemical Properties of Bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, bis(2-ethylhexyl)ester

InChI

InChI=1S/C25H42O4/c1-5-9-11-18(7-3)16-28-24(26)22-20-13-14-21(15-20)23(22)25(27)29-17-19(8-4)12-10-6-2/h13-14,18-23H,5-12,15-17H2,1-4H3

InChI Key

GUVQPBGSPLOPRC-UHFFFAOYSA-N

Formula

C25H42O4

SMILES

CCCCC(CC)COC(=O)C1C2C=CC(C2)C1C(=O)OCC(CC)CCCC

Molecular Weight¹

406.61

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[514.15; 1269.67]	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			-5.83300e+01
Coefficient B			2.46428e+00
Coefficient C			-1.42388e-03
Coefficient D			2.87600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	514.15	J/mol×K	273.00	Calculated Property
Cp,gas	648.00	J/mol×K	353.78	Calculated Property
Cp,gas	767.25	J/mol×K	434.56	Calculated Property
Cp,gas	872.82	J/mol×K	515.33	Calculated Property
Cp,gas	965.60	J/mol×K	596.11	Calculated Property
Cp,gas	1046.52	J/mol×K	676.89	Calculated Property
Cp,gas	1116.47	J/mol×K	757.67	Calculated Property
Cp,gas	1176.38	J/mol×K	838.44	Calculated Property
Cp,gas	1227.14	J/mol×K	919.22	Calculated Property
Cp,gas	1269.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021646; 0.0003134]	Pa×s	[450.81; 767.80]	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			-1.08162e+01
Coefficient B			2.11007e+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.			450.81
Temperature range, max.			767.80
η	0.0021646	Pa×s	450.81	Calculated Property
η	0.0015419	Pa×s	486.03	Calculated Property
η	0.0011499	Pa×s	521.25	Calculated Property
η	0.0008900	Pa×s	556.47	Calculated Property
η	0.0007102	Pa×s	591.69	Calculated Property
η	0.0005812	Pa×s	626.91	Calculated Property
η	0.0004860	Pa×s	662.14	Calculated Property
η	0.0004137	Pa×s	697.36	Calculated Property
η	0.0003577	Pa×s	732.58	Calculated Property
η	0.0003134	Pa×s	767.80	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, bis(2-ethylhexyl)ester.

Sources

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

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