Chemical Properties of Tricyclo[1.1.0.0^2,4]butane,tetrakis(t-butyl)

InChI

InChI=1S/C20H36/c1-13(2,3)17-18(14(4,5)6)19(17,15(7,8)9)20(17,18)16(10,11)12/h1-12H3

InChI Key

XMHGFBLEMNQVKR-UHFFFAOYSA-N

Formula

C20H36

SMILES

CC(C)(C)C12C3(C(C)(C)C)C1(C(C)(C)C)C23C(C)(C)C

Molecular Weight¹

276.51

Other Names

• Tricyclo[1.1.0.0^2,4]butane,tetrakis(1,1-dimethylethyl)-
• Tetra-tert-butyltetrahedrane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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

Property	Value	Unit	Source
ΔcH°solid	-12970.00 ± 7.50	kJ/mol	NIST
ΔfH°gas	26.00 ± 8.80	kJ/mol	NIST
ΔfH°solid	-45.60 ± 7.90	kJ/mol	NIST
ΔfusH°	-1.32	kJ/mol	Joback Calculated Property
ΔsubH°	[71.60; 72.00]	kJ/mol
ΔsubH°	72.00 ± 3.00	kJ/mol	NIST
ΔsubH°	71.60	kJ/mol	NIST
IE	[7.10; 7.50]	eV
IE	7.10	eV	NIST
IE	7.50	eV	NIST
logPoct/wat	6.157		Crippen Calculated Property
McVol	260.080	ml/mol	McGowan Calculated Property

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	[364.60; 1023.31]	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			-4.32330e+02
Coefficient B			4.04904e+00
Coefficient C			-4.71900e-03
Coefficient D			2.12560e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.60	J/mol×K	273.00	Calculated Property
Cp,gas	503.62	J/mol×K	353.78	Calculated Property
Cp,gas	610.50	J/mol×K	434.56	Calculated Property
Cp,gas	691.96	J/mol×K	515.33	Calculated Property
Cp,gas	754.72	J/mol×K	596.11	Calculated Property
Cp,gas	805.50	J/mol×K	676.89	Calculated Property
Cp,gas	851.03	J/mol×K	757.67	Calculated Property
Cp,gas	898.02	J/mol×K	838.44	Calculated Property
Cp,gas	953.21	J/mol×K	919.22	Calculated Property
Cp,gas	1023.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[1.1.0.0^2,4]butane,tetrakis(t-butyl).

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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