Chemical Properties of 3a,4,5,6,7,7a-Hexahydro-4,7-methanoindene (CAS 4488-57-7)

InChI

InChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2

InChI Key

HANKSFAYJLDDKP-UHFFFAOYSA-N

Formula

C10H14

SMILES

C1=CC2C3CCC(C3)C2C1

Molecular Weight¹

134.22

CAS

4488-57-7

Other Names

• Steriochemistry unspecified
• 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-
• Dihydrodicyclopentadiene
• Tricyclo(5.2.1.0(2,6))dec-3-ene
• Tricyclo(5.2.1.0(2,6))dec-4-ene
• 4,7-Methanoindene, 3a,4,5,6,7,7a-hexahydro-
• 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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 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	[138.19; 451.59]	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			-1.48330e+02
Coefficient B			1.31440e+00
Coefficient C			-1.06628e-03
Coefficient D			3.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.19	J/mol×K	273.00	Calculated Property
Cp,gas	198.80	J/mol×K	353.78	Calculated Property
Cp,gas	250.36	J/mol×K	434.56	Calculated Property
Cp,gas	294.00	J/mol×K	515.33	Calculated Property
Cp,gas	330.82	J/mol×K	596.11	Calculated Property
Cp,gas	361.93	J/mol×K	676.89	Calculated Property
Cp,gas	388.45	J/mol×K	757.67	Calculated Property
Cp,gas	411.50	J/mol×K	838.44	Calculated Property
Cp,gas	432.17	J/mol×K	919.22	Calculated Property
Cp,gas	451.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004996; 0.0011016]	Pa×s	[249.28; 464.33]	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			-5.89450e+00
Coefficient B			-4.25560e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			249.28
Temperature range, max.			464.33
η	0.0004996	Pa×s	249.28	Calculated Property
η	0.0005801	Pa×s	273.17	Calculated Property
η	0.0006575	Pa×s	297.07	Calculated Property
η	0.0007315	Pa×s	320.96	Calculated Property
η	0.0008019	Pa×s	344.86	Calculated Property
η	0.0008687	Pa×s	368.75	Calculated Property
η	0.0009319	Pa×s	392.64	Calculated Property
η	0.0009916	Pa×s	416.54	Calculated Property
η	0.0010481	Pa×s	440.43	Calculated Property
η	0.0011016	Pa×s	464.33	Calculated Property

Similar Compounds

Find more compounds similar to 3a,4,5,6,7,7a-Hexahydro-4,7-methanoindene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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