Chemical Properties of Benzenamine, 2,6-diethyl- (CAS 579-66-8)

InChI

InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3

InChI Key

FOYHNROGBXVLLX-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CCc1cccc(CC)c1N

Molecular Weight¹

149.23

CAS

579-66-8

Other Names

• 2,6-Diethylaniline
• 2,6-Diethylbenzenamine
• 2,6-diethylaniline (DEA)
• Aniline, 2,6-diethyl-

• 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).
• 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_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	0.5346		Relay (1.0) Calculated Property
ΔfG°	192.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.12	kJ/mol	Joback Calculated Property
ΔvapH°	65.90 ± 0.60	kJ/mol	NIST
IE	7.77	eV	NIST
log10WS	-2.35		Aq. Solubility Prediction
logPoct/wat	2.394		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	3018.96	kPa	Joback Calculated Property
Inp	[227.43; 1329.00]
Inp	1295.60		NIST
Inp	1329.00		NIST
Inp	227.43		NIST
Inp	227.43		NIST
Tboil	514.24	K	Relay (1.0) Calculated Property
Tc	726.69	K	Relay (1.0) Calculated Property
Tfus	276.65	K	Aq. Solubility Prediction
Vc	0.490	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.84; 446.60]	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			-5.01800e+00
Coefficient B			8.17840e-01
Coefficient C			-4.60720e-04
Coefficient D			9.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.84	J/mol×K	273.00	Calculated Property
Cp,gas	230.84	J/mol×K	353.78	Calculated Property
Cp,gas	271.13	J/mol×K	434.56	Calculated Property
Cp,gas	307.02	J/mol×K	515.33	Calculated Property
Cp,gas	338.81	J/mol×K	596.11	Calculated Property
Cp,gas	366.78	J/mol×K	676.89	Calculated Property
Cp,gas	391.25	J/mol×K	757.67	Calculated Property
Cp,gas	412.51	J/mol×K	838.44	Calculated Property
Cp,gas	430.86	J/mol×K	919.22	Calculated Property
Cp,gas	446.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[381.92; 546.66]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44406e+01
Coefficient B			-4.23692e+03
Coefficient C			-8.25550e+01
Temperature range, min.			381.92
Temperature range, max.			546.66
Pvap	1.33	kPa	381.92	Calculated Property
Pvap	3.01	kPa	400.22	Calculated Property
Pvap	6.23	kPa	418.53	Calculated Property
Pvap	11.96	kPa	436.83	Calculated Property
Pvap	21.52	kPa	455.14	Calculated Property
Pvap	36.65	kPa	473.44	Calculated Property
Pvap	59.52	kPa	491.75	Calculated Property
Pvap	92.72	kPa	510.05	Calculated Property
Pvap	139.29	kPa	528.36	Calculated Property
Pvap	202.63	kPa	546.66	Calculated Property
Pvap	[3.68e-05; 3064.11]	kPa	[276.65; 678.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.46372e+02
Coefficient B			-1.50264e+04
Coefficient C			-1.82753e+01
Coefficient D			6.43473e-06
Coefficient E			0.00000e+00
Temperature range, min.			276.65
Temperature range, max.			678.00
Pvap	3.68e-05	kPa	276.65	Calculated Property
Pvap	5.36e-03	kPa	321.24	Calculated Property
Pvap	0.18	kPa	365.84	Calculated Property
Pvap	2.41	kPa	410.43	Calculated Property
Pvap	16.94	kPa	455.03	Calculated Property
Pvap	76.90	kPa	499.62	Calculated Property
Pvap	255.70	kPa	544.22	Calculated Property
Pvap	679.25	kPa	588.81	Calculated Property
Pvap	1531.83	kPa	633.41	Calculated Property
Pvap	3064.11	kPa	678.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2,6-diethyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction 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.
These property values are available through the Cheméo API. A free account gives you an access key.