Chemical Properties of Tricyclo[1.1.0.0^2,4]butane,tetrakis(t-butyl) (CAS 66809-06-1)

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

276.50

CAS

66809-06-1

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-12970.00 ± 7.50	kJ/mol	NIST
ΔfG°	341.96	kJ/mol	Joback Calculated Property
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
ΔvapH°	48.90	kJ/mol	Joback Calculated Property
IE	[7.10; 7.50]	eV
IE	7.10	eV	NIST
IE	7.50	eV	NIST
log10WS	-5.94		Crippen Calculated Property
logPoct/wat	6.157		Crippen Calculated Property
McVol	260.080	ml/mol	McGowan Calculated Property
Pc	1423.99	kPa	Joback Calculated Property
Tboil	639.24	K	Joback Calculated Property
Tc	859.11	K	Joback Calculated Property
Tfus	487.62	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.89; 911.10]	J/mol×K	[639.24; 859.11]
Cp,gas	782.89	J/mol×K	639.24	Joback Calculated Property
Cp,gas	804.92	J/mol×K	675.89	Joback Calculated Property
Cp,gas	825.84	J/mol×K	712.53	Joback Calculated Property
Cp,gas	846.29	J/mol×K	749.18	Joback Calculated Property
Cp,gas	866.90	J/mol×K	785.82	Joback Calculated Property
Cp,gas	888.29	J/mol×K	822.47	Joback Calculated Property
Cp,gas	911.10	J/mol×K	859.11	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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