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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4690		Relay (1.0) Calculated Property
ΔfG°	205.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-25.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.09	kJ/mol	Joback Calculated Property
ΔvapH°	63.41	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	737.17	K	Relay (1.0) Calculated Property
Tfus	292.97	K	Relay (1.0) Calculated Property
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.50; 398.65]	J/mol×K	[529.16; 760.46]
Cp,gas	319.50	J/mol×K	529.16	Joback Calculated Property
Cp,gas	335.25	J/mol×K	567.71	Joback Calculated Property
Cp,gas	349.89	J/mol×K	606.26	Joback Calculated Property
Cp,gas	363.48	J/mol×K	644.81	Joback Calculated Property
Cp,gas	376.10	J/mol×K	683.36	Joback Calculated Property
Cp,gas	387.79	J/mol×K	721.91	Joback Calculated Property
Cp,gas	398.65	J/mol×K	760.46	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[386.32; 531.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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