Chemical Properties of Tricyclo[4.2.1.0(2,5)]non-7-ene, 3-(tert-butyl)-

InChI

InChI=1S/C13H20/c1-13(2,3)11-7-10-8-4-5-9(6-8)12(10)11/h4-5,8-12H,6-7H2,1-3H3

InChI Key

ZDFYZSBZKSBEGD-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC(C)(C)C1CC2C3C=CC(C3)C21

Molecular Weight¹

176.30

• 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).
• I_np : Non-polar retention indices.
• 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	[207.53; 612.71]	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			-1.64470e+02
Coefficient B			1.70836e+00
Coefficient C			-1.39228e-03
Coefficient D			4.61100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.53	J/mol×K	273.00	Calculated Property
Cp,gas	286.07	J/mol×K	353.78	Calculated Property
Cp,gas	352.83	J/mol×K	434.56	Calculated Property
Cp,gas	409.26	J/mol×K	515.33	Calculated Property
Cp,gas	456.83	J/mol×K	596.11	Calculated Property
Cp,gas	496.99	J/mol×K	676.89	Calculated Property
Cp,gas	531.20	J/mol×K	757.67	Calculated Property
Cp,gas	560.92	J/mol×K	838.44	Calculated Property
Cp,gas	587.60	J/mol×K	919.22	Calculated Property
Cp,gas	612.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010062; 0.0017460]	Pa×s	[284.79; 501.10]	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			-5.62480e+00
Coefficient B			-3.63600e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			284.79
Temperature range, max.			501.10
η	0.0010062	Pa×s	284.79	Calculated Property
η	0.0011114	Pa×s	308.82	Calculated Property
η	0.0012100	Pa×s	332.86	Calculated Property
η	0.0013023	Pa×s	356.89	Calculated Property
η	0.0013888	Pa×s	380.93	Calculated Property
η	0.0014698	Pa×s	404.96	Calculated Property
η	0.0015456	Pa×s	429.00	Calculated Property
η	0.0016167	Pa×s	453.03	Calculated Property
η	0.0016834	Pa×s	477.06	Calculated Property
η	0.0017460	Pa×s	501.10	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.2.1.0(2,5)]non-7-ene, 3-(tert-butyl)-.

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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