Chemical Properties of Benzenamine, 2,6-bis(1-methylethyl)- (CAS 24544-04-5)

InChI

InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3

InChI Key

WKBALTUBRZPIPZ-UHFFFAOYSA-N

Formula

C12H19N

SMILES

CC(C)c1cccc(C(C)C)c1N

Molecular Weight¹

177.29

CAS

24544-04-5

Other Names

• 2,6-Diisopropylaniline
• Aniline, 2,6-diisopropyl-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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
ω	0.5320		Relay (1.0) Calculated Property
ΔfH°gas	-73.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.25	kJ/mol	Joback Calculated Property
ΔvapH°	69.50 ± 0.30	kJ/mol	NIST
IE	7.51	eV	Relay (1.0) Calculated Property
log10WS	-3.58		Relay (1.0) Calculated Property
logPoct/wat	3.516		Crippen Calculated Property
McVol	166.160	ml/mol	McGowan Calculated Property
Pc	2510.03	kPa	Joback Calculated Property
Inp	[1404.20; 1404.20]
Inp	1404.20		NIST
Inp	1404.20		NIST
Tboil	530.20	K	NIST
Tc	746.45	K	Relay (1.0) Calculated Property
Tfus	301.02	K	Relay (1.0) Calculated Property
Vc	0.588	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.51; 497.78]	J/mol×K	[582.45; 802.38]
Cp,gas	411.51	J/mol×K	582.45	Joback Calculated Property
Cp,gas	428.18	J/mol×K	619.10	Joback Calculated Property
Cp,gas	443.88	J/mol×K	655.76	Joback Calculated Property
Cp,gas	458.66	J/mol×K	692.41	Joback Calculated Property
Cp,gas	472.55	J/mol×K	729.07	Joback Calculated Property
Cp,gas	485.58	J/mol×K	765.72	Joback Calculated Property
Cp,gas	497.78	J/mol×K	802.38	Joback Calculated Property
ΔvapH	69.20 ± 0.30	kJ/mol	303.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[399.12; 562.20]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48798e+01
Coefficient B			-4.53217e+03
Coefficient C			-8.85320e+01
Temperature range, min.			399.12
Temperature range, max.			562.20
Pvap	1.33	kPa	399.12	Calculated Property
Pvap	2.98	kPa	417.24	Calculated Property
Pvap	6.12	kPa	435.36	Calculated Property
Pvap	11.72	kPa	453.48	Calculated Property
Pvap	21.09	kPa	471.60	Calculated Property
Pvap	35.98	kPa	489.72	Calculated Property
Pvap	58.62	kPa	507.84	Calculated Property
Pvap	91.73	kPa	525.96	Calculated Property
Pvap	138.52	kPa	544.08	Calculated Property
Pvap	202.67	kPa	562.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2,6-bis(1-methylethyl)-.

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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