Chemical Properties of 3,8-Methanocyclobuta[b]naphthalene,2a,3,8,8a-tetrahydro-(2a«alpha»,3«alpha»,8«alpha»,8a«alpha»)- (CAS 54443-68-4)

InChI

InChI=1S/C13H12/c1-2-4-9-8(3-1)12-7-13(9)11-6-5-10(11)12/h1-6,10-13H,7H2/t10-,11+,12+,13-

InChI Key

FLKOIGZBVYAFSE-FNFFVJSTSA-N

Formula

C13H12

SMILES

C1=CC2C3CC(c4ccccc43)C12

Molecular Weight¹

168.23

CAS

54443-68-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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 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	[161.80; 479.46]	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			-1.55300e+02
Coefficient B			1.48980e+00
Coefficient C			-1.33284e-03
Coefficient D			4.77800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.80	J/mol×K	273.00	Calculated Property
Cp,gas	226.10	J/mol×K	353.78	Calculated Property
Cp,gas	279.62	J/mol×K	434.56	Calculated Property
Cp,gas	323.87	J/mol×K	515.33	Calculated Property
Cp,gas	360.37	J/mol×K	596.11	Calculated Property
Cp,gas	390.63	J/mol×K	676.89	Calculated Property
Cp,gas	416.16	J/mol×K	757.67	Calculated Property
Cp,gas	438.47	J/mol×K	838.44	Calculated Property
Cp,gas	459.06	J/mol×K	919.22	Calculated Property
Cp,gas	479.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012721; 0.0031823]	Pa×s	[332.59; 537.05]	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			-4.25861e+00
Coefficient B			-8.01030e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			332.59
Temperature range, max.			537.05
η	0.0012721	Pa×s	332.59	Calculated Property
η	0.0014839	Pa×s	355.31	Calculated Property
η	0.0016992	Pa×s	378.03	Calculated Property
η	0.0019161	Pa×s	400.74	Calculated Property
η	0.0021330	Pa×s	423.46	Calculated Property
η	0.0023486	Pa×s	446.18	Calculated Property
η	0.0025621	Pa×s	468.90	Calculated Property
η	0.0027725	Pa×s	491.61	Calculated Property
η	0.0029794	Pa×s	514.33	Calculated Property
η	0.0031823	Pa×s	537.05	Calculated Property

Similar Compounds

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

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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