Chemical Properties of 4-t-Butylbenzeneamine (CAS 769-92-6)

InChI

InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3

InChI Key

WRDWWAVNELMWAM-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CC(C)(C)c1ccc(N)cc1

Molecular Weight¹

149.23

CAS

769-92-6

Other Names

• 4-(1,1-Dimethylethyl)benzenamine
• 4-(t-Butyl)aniline
• 4-Amino-tert-butylbenzene
• 4-tert-Butylaniline
• 4-tert-Butylbenzenamine
• 4-tert-Butylbenzeneamine
• Aniline, 4-tert-butyl-
• Aniline, p-tert-butyl-
• Benzenamine, 4-(1,1-dimethylethyl)-
• p-t-Butylaniline
• p-tert-Butylaniline

• ω : Acentric Factor.
• 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_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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4690		Relay (1.0) Calculated Property
ΔfH°gas	-25.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.09	kJ/mol	Joback Calculated Property
ΔvapH°	64.55	kJ/mol	Relay (1.0) Calculated Property
IE	[7.35; 7.70]	eV
IE	7.35 ± 0.02	eV	NIST
IE	7.70 ± 0.10	eV	NIST
log10WS	-2.92		Relay (1.0) Calculated Property
logPoct/wat	2.566		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Inp	[1270.40; 1270.40]
Inp	1270.40		NIST
Inp	1270.40		NIST
I	2011.00		NIST
Tboil	504.00 ± 1.00	K	NIST
Tc	736.17	K	Relay (1.0) Calculated Property
Tfus	289.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.83; 451.11]	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			-4.37900e+01
Coefficient B			1.00316e+00
Coefficient C			-6.99560e-04
Coefficient D			1.91300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.83	J/mol×K	273.00	Calculated Property
Cp,gas	232.02	J/mol×K	353.78	Calculated Property
Cp,gas	275.73	J/mol×K	434.56	Calculated Property
Cp,gas	313.57	J/mol×K	515.33	Calculated Property
Cp,gas	346.14	J/mol×K	596.11	Calculated Property
Cp,gas	374.04	J/mol×K	676.89	Calculated Property
Cp,gas	397.89	J/mol×K	757.67	Calculated Property
Cp,gas	418.28	J/mol×K	838.44	Calculated Property
Cp,gas	435.82	J/mol×K	919.22	Calculated Property
Cp,gas	451.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[386.32; 531.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57409e+01
Coefficient B			-4.67055e+03
Coefficient C			-8.40840e+01
Temperature range, min.			386.32
Temperature range, max.			531.91
Pvap	1.33	kPa	386.32	Calculated Property
Pvap	2.92	kPa	402.50	Calculated Property
Pvap	5.94	kPa	418.67	Calculated Property
Pvap	11.31	kPa	434.85	Calculated Property
Pvap	20.34	kPa	451.03	Calculated Property
Pvap	34.82	kPa	467.20	Calculated Property
Pvap	57.05	kPa	483.38	Calculated Property
Pvap	89.96	kPa	499.56	Calculated Property
Pvap	137.09	kPa	515.73	Calculated Property
Pvap	202.66	kPa	531.91	Calculated Property

Similar Compounds

Find more compounds similar to 4-t-Butylbenzeneamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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