Chemical Properties of Tricyclo[4.2.0.0^2,5]oct-3-ene,(1α,2β,5β,6α)- (CAS 39781-76-5)

InChI

InChI=1S/C8H10/c1-2-6-5(1)7-3-4-8(6)7/h1-2,5-8H,3-4H2

InChI Key

YHCXYJYRBADQSN-UHFFFAOYSA-N

Formula

C8H10

SMILES

C1=CC2C1C1CCC21

Molecular Weight¹

106.17

CAS

39781-76-5

Other Names

• Tricyclo[4.2.0.0

• 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).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[105.55; 344.85]	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			-1.36270e+02
Coefficient B			1.14360e+00
Coefficient C			-1.05028e-03
Coefficient D			3.87800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.55	J/mol×K	273.00	Calculated Property
Cp,gas	154.03	J/mol×K	353.78	Calculated Property
Cp,gas	194.18	J/mol×K	434.56	Calculated Property
Cp,gas	227.22	J/mol×K	515.33	Calculated Property
Cp,gas	254.37	J/mol×K	596.11	Calculated Property
Cp,gas	276.88	J/mol×K	676.89	Calculated Property
Cp,gas	295.95	J/mol×K	757.67	Calculated Property
Cp,gas	312.82	J/mol×K	838.44	Calculated Property
Cp,gas	328.71	J/mol×K	919.22	Calculated Property
Cp,gas	344.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001254; 0.0008893]	Pa×s	[233.78; 417.56]	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			-4.53298e+00
Coefficient B			-1.04062e+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.			233.78
Temperature range, max.			417.56
η	0.0001254	Pa×s	233.78	Calculated Property
η	0.0001793	Pa×s	254.20	Calculated Property
η	0.0002430	Pa×s	274.62	Calculated Property
η	0.0003159	Pa×s	295.04	Calculated Property
η	0.0003969	Pa×s	315.46	Calculated Property
η	0.0004851	Pa×s	335.88	Calculated Property
η	0.0005794	Pa×s	356.30	Calculated Property
η	0.0006787	Pa×s	376.72	Calculated Property
η	0.0007823	Pa×s	397.14	Calculated Property
η	0.0008893	Pa×s	417.56	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.2.0.0^2,5]oct-3-ene,(1α,2β,5β,6α)-.

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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