Chemical Properties of N,N-Dimethyl-4-t-butylbenzeneamine (CAS 2909-79-7)

InChI

InChI=1S/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3

InChI Key

SJDILFZCXQHCRB-UHFFFAOYSA-N

Formula

C12H19N

SMILES

CN(C)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

177.29

CAS

2909-79-7

Other Names

• 4-tert-Butyl-N,N-dimethylaniline
• Benzenamine, 4-(1,1-dimethylethyl)-N,N-dimethyl-
• p-t-Butyl-N,N-dimethylaniline
• p-tert-Butyl-N,N-dimethylaniline

• 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).
• T_boil : Normal Boiling Point Temperature (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	0.4607		Relay (1.0) Calculated Property
ΔfG°	266.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-14.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.10	kJ/mol	Joback Calculated Property
ΔvapH°	64.99	kJ/mol	Relay (1.0) Calculated Property
IE	[6.90; 7.43]	eV
IE	6.90 ± 0.02	eV	NIST
IE	7.43	eV	NIST
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	3.050		Crippen Calculated Property
McVol	166.160	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Tboil	[493.15; 524.70]	K
Tboil	524.70	K	NIST
Tboil	493.15 ± 4.00	K	NIST
Tc	729.32	K	Relay (1.0) Calculated Property
Tfus	306.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.39; 556.35]	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			-6.27900e+01
Coefficient B			1.25520e+00
Coefficient C			-8.77560e-04
Coefficient D			2.41500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.39	J/mol×K	273.00	Calculated Property
Cp,gas	282.13	J/mol×K	353.78	Calculated Property
Cp,gas	336.76	J/mol×K	434.56	Calculated Property
Cp,gas	384.05	J/mol×K	515.33	Calculated Property
Cp,gas	424.77	J/mol×K	596.11	Calculated Property
Cp,gas	459.66	J/mol×K	676.89	Calculated Property
Cp,gas	489.50	J/mol×K	757.67	Calculated Property
Cp,gas	515.05	J/mol×K	838.44	Calculated Property
Cp,gas	537.08	J/mol×K	919.22	Calculated Property
Cp,gas	556.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[394.72; 556.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48710e+01
Coefficient B			-4.48756e+03
Coefficient C			-8.70030e+01
Temperature range, min.			394.72
Temperature range, max.			556.44
Pvap	1.33	kPa	394.72	Calculated Property
Pvap	2.98	kPa	412.69	Calculated Property
Pvap	6.13	kPa	430.66	Calculated Property
Pvap	11.72	kPa	448.63	Calculated Property
Pvap	21.09	kPa	466.60	Calculated Property
Pvap	35.99	kPa	484.56	Calculated Property
Pvap	58.64	kPa	502.53	Calculated Property
Pvap	91.75	kPa	520.50	Calculated Property
Pvap	138.53	kPa	538.47	Calculated Property
Pvap	202.66	kPa	556.44	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethyl-4-t-butylbenzeneamine.

Sources

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

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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