Chemical Properties of Benzenamine, 2,4,6-tris(1,1-dimethylethyl)- (CAS 961-38-6)

InChI

InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3

InChI Key

REJGDSCBQPJPQT-UHFFFAOYSA-N

Formula

C18H31N

SMILES

CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1

Molecular Weight¹

261.45

CAS

961-38-6

Other Names

• 2,4,6-tri-tert-Butylaniline
• 2,4,6-tri-t-Butylaniline
• Aniline, tri-tert-butyl-
• Aniline, 2,4,6-tri-tert-butyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-198.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.21	kJ/mol	Joback Calculated Property
ΔsubH°	92.50 ± 1.10	kJ/mol	NIST
ΔvapH°	80.79	kJ/mol	Relay (1.0) Calculated Property
IE	[6.90; 7.30]	eV
IE	6.90	eV	NIST
IE	7.30	eV	NIST
logPoct/wat	5.161		Crippen Calculated Property
McVol	250.700	ml/mol	McGowan Calculated Property
Tboil	575.32	K	Relay (1.0) Calculated Property
Tfus	361.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.39; 839.43]	J/mol×K	[715.70; 941.27]
Cp,gas	736.39	J/mol×K	715.70	Joback Calculated Property
Cp,gas	756.58	J/mol×K	753.30	Joback Calculated Property
Cp,gas	775.40	J/mol×K	790.89	Joback Calculated Property
Cp,gas	792.98	J/mol×K	828.49	Joback Calculated Property
Cp,gas	809.43	J/mol×K	866.08	Joback Calculated Property
Cp,gas	824.87	J/mol×K	903.68	Joback Calculated Property
Cp,gas	839.43	J/mol×K	941.27	Joback Calculated Property
ΔfusH	19.38	kJ/mol	426.40	NIST

Similar Compounds

Find more compounds similar to Benzenamine, 2,4,6-tris(1,1-dimethylethyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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