Chemical Properties of 3,8-Methanocyclobuta[b]naphthalene,1,2,2a,3,8,8a-hexahydro-(2a«alpha»3«beta»,8«beta»,8a«alpha»)- (CAS 67109-90-4)

InChI

InChI=1S/C13H14/c1-2-4-9-8(3-1)12-7-13(9)11-6-5-10(11)12/h1-4,10-13H,5-7H2/t10-,11+,12-,13+

InChI Key

SHMYIFLHMQKIPZ-MPZDIEGVSA-N

Formula

C13H14

SMILES

c1ccc2c(c1)C1CC2C2CCC12

Molecular Weight¹

170.25

CAS

67109-90-4

• 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	[168.28; 510.76]	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			-1.63080e+02
Coefficient B			1.54580e+00
Coefficient C			-1.34556e-03
Coefficient D			4.73600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.28	J/mol×K	273.00	Calculated Property
Cp,gas	236.35	J/mol×K	353.78	Calculated Property
Cp,gas	293.43	J/mol×K	434.56	Calculated Property
Cp,gas	341.00	J/mol×K	515.33	Calculated Property
Cp,gas	380.57	J/mol×K	596.11	Calculated Property
Cp,gas	413.63	J/mol×K	676.89	Calculated Property
Cp,gas	441.68	J/mol×K	757.67	Calculated Property
Cp,gas	466.22	J/mol×K	838.44	Calculated Property
Cp,gas	488.75	J/mol×K	919.22	Calculated Property
Cp,gas	510.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014101; 0.0031684]	Pa×s	[331.83; 535.99]	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			-4.43870e+00
Coefficient B			-7.05270e+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.			331.83
Temperature range, max.			535.99
η	0.0014101	Pa×s	331.83	Calculated Property
η	0.0016155	Pa×s	354.51	Calculated Property
η	0.0018208	Pa×s	377.20	Calculated Property
η	0.0020246	Pa×s	399.88	Calculated Property
η	0.0022256	Pa×s	422.57	Calculated Property
η	0.0024232	Pa×s	445.25	Calculated Property
η	0.0026166	Pa×s	467.94	Calculated Property
η	0.0028054	Pa×s	490.62	Calculated Property
η	0.0029894	Pa×s	513.30	Calculated Property
η	0.0031684	Pa×s	535.99	Calculated Property

Similar Compounds

Find more compounds similar to 3,8-Methanocyclobuta[b]naphthalene,1,2,2a,3,8,8a-hexahydro-(2a«alpha»3«beta»,8«beta»,8a«alpha»)-.

Sources

• 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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