Chemical Properties of Tetracyclo[4.1.0.0(2,4).0(3,5)]heptane

InChI

InChI=1S/C7H8/c1-2-3(1)5-6-4(2)7(5)6/h2-7H,1H2

InChI Key

QBLIOMUVZBDTLW-UHFFFAOYSA-N

Formula

C7H8

SMILES

C1C2C1C1C3C2C13

Molecular Weight¹

92.14

• 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	[89.20; 303.84]	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			-1.66960e+02
Coefficient B			1.26740e+00
Coefficient C			-1.35900e-03
Coefficient D			5.62400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.20	J/mol×K	273.00	Calculated Property
Cp,gas	136.23	J/mol×K	353.78	Calculated Property
Cp,gas	173.32	J/mol×K	434.56	Calculated Property
Cp,gas	202.23	J/mol×K	515.33	Calculated Property
Cp,gas	224.76	J/mol×K	596.11	Calculated Property
Cp,gas	242.68	J/mol×K	676.89	Calculated Property
Cp,gas	257.77	J/mol×K	757.67	Calculated Property
Cp,gas	271.81	J/mol×K	838.44	Calculated Property
Cp,gas	286.57	J/mol×K	919.22	Calculated Property
Cp,gas	303.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000245; 0.0009336]	Pa×s	[249.53; 379.12]	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			2.93200e-02
Coefficient B			-2.65603e+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.			249.53
Temperature range, max.			379.12
η	0.0000245	Pa×s	249.53	Calculated Property
η	0.0000439	Pa×s	263.93	Calculated Property
η	0.0000738	Pa×s	278.33	Calculated Property
η	0.0001181	Pa×s	292.73	Calculated Property
η	0.0001807	Pa×s	307.13	Calculated Property
η	0.0002662	Pa×s	321.52	Calculated Property
η	0.0003792	Pa×s	335.92	Calculated Property
η	0.0005249	Pa×s	350.32	Calculated Property
η	0.0007080	Pa×s	364.72	Calculated Property
η	0.0009336	Pa×s	379.12	Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclo[4.1.0.0(2,4).0(3,5)]heptane.

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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