Chemical Properties of Benzenamine, 2-ethyl- (CAS 578-54-1)

InChI

InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3

InChI Key

MLPVBIWIRCKMJV-UHFFFAOYSA-N

Formula

C8H11N

SMILES

CCc1ccccc1N

Molecular Weight¹

121.18

CAS

578-54-1

Other Names

• 2-ETHYLANILINE
• 2-ETHYLBENZENAMINE
• 2-Ethylbenzeneamine
• 2-Ethylphenylamine
• Aniline, 2-ethyl-
• Aniline, o-ethyl-
• NSC 62014
• O-AMINOETHYLBENZENE
• O-ETHYLANILINE
• UN 2273
• ortho-Ethylaniline

• 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.
• I : 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
ΔfG°	185.71	kJ/mol	Joback Calculated Property
ΔfH°gas	50.40	kJ/mol	Joback Calculated Property
ΔfusH°	15.32	kJ/mol	Joback Calculated Property
ΔvapH°	60.60 ± 0.90	kJ/mol	NIST
IE	7.60 ± 0.10	eV	NIST
log10WS	-1.91		Crippen Calculated Property
logPoct/wat	1.831		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
Pc	3843.54	kPa	Joback Calculated Property
Inp	[1119.00; 1124.10]
Inp	1124.10		NIST
Inp	1119.00		NIST
I	[1848.00; 1902.00]
I	1902.00		NIST
I	1848.00		NIST
I	1902.00		NIST
Tboil	[482.70; 487.00]	K
Tboil	482.70	K	NIST
Tboil	482.70 ± 1.00	K	NIST
Tboil	487.00 ± 4.00	K	NIST
Tboil	487.00 ± 4.00	K	NIST
Tboil	487.00 ± 5.00	K	NIST
Tc	710.97	K	Joback Calculated Property
Tfus	[226.60; 263.20]	K
Tfus	226.60 ± 1.00	K	NIST
Tfus	263.20 ± 20.00	K	NIST
Vc	0.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.77; 293.75]	J/mol×K	[486.63; 710.97]
Cp,gas	228.77	J/mol×K	486.63	Joback Calculated Property
Cp,gas	241.38	J/mol×K	524.02	Joback Calculated Property
Cp,gas	253.24	J/mol×K	561.41	Joback Calculated Property
Cp,gas	264.37	J/mol×K	598.80	Joback Calculated Property
Cp,gas	274.81	J/mol×K	636.19	Joback Calculated Property
Cp,gas	284.60	J/mol×K	673.58	Joback Calculated Property
Cp,gas	293.75	J/mol×K	710.97	Joback Calculated Property
ΔvapH	60.30 ± 0.90	kJ/mol	303.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[361.12; 512.46]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47984e+01
Coefficient B			-4.14709e+03
Coefficient C			-7.53270e+01
Temperature range, min.			361.12
Temperature range, max.			512.46
Pvap	1.33	kPa	361.12	Calculated Property
Pvap	2.99	kPa	377.94	Calculated Property
Pvap	6.14	kPa	394.75	Calculated Property
Pvap	11.76	kPa	411.57	Calculated Property
Pvap	21.16	kPa	428.38	Calculated Property
Pvap	36.09	kPa	445.20	Calculated Property
Pvap	58.78	kPa	462.01	Calculated Property
Pvap	91.90	kPa	478.83	Calculated Property
Pvap	138.64	kPa	495.64	Calculated Property
Pvap	202.63	kPa	512.46	Calculated Property
Pvap	[9.26e-06; 3662.26]	kPa	[226.55; 704.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.09753e+01
Coefficient B			-9.66120e+03
Coefficient C			-9.23402e+00
Coefficient D			3.02507e-06
Temperature range, min.			226.55
Temperature range, max.			704.00
Pvap	9.26e-06	kPa	226.55	Calculated Property
Pvap	4.70e-03	kPa	279.60	Calculated Property
Pvap	0.26	kPa	332.65	Calculated Property
Pvap	4.01	kPa	385.70	Calculated Property
Pvap	28.75	kPa	438.75	Calculated Property
Pvap	125.12	kPa	491.80	Calculated Property
Pvap	388.55	kPa	544.85	Calculated Property
Pvap	954.46	kPa	597.90	Calculated Property
Pvap	1985.13	kPa	650.95	Calculated Property
Pvap	3662.26	kPa	704.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-ethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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