Chemical Properties of Benzenamine, N-ethyl- (CAS 103-69-5)

InChI

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

InChI Key

OJGMBLNIHDZDGS-UHFFFAOYSA-N

Formula

C8H11N

SMILES

CCNc1ccccc1

Molecular Weight¹

121.18

CAS

103-69-5

Other Names

• Aethylanilin
• Anilinoethane
• Ethylaniline
• N-Ethyl-N-phenylamine
• N-EthylaniIine
• N-Ethylbenzenamine
• N-ethylaminobenzene
• N-ethylaniline
• NSC 8736
• UN 2272
• aniline, N-ethyl-
• benzeneamine, N-ethyl-
• ethylphenylamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.4132		Relay (1.0) Calculated Property
PAff	924.80	kJ/mol	NIST
BasG	892.90	kJ/mol	NIST
ΔcH°gas	-4714.90	kJ/mol	NIST
ΔcH°liquid	-4724.20 ± 4.20	kJ/mol	NIST
μ	1.70	debye	KDB
ΔfG°	218.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[23.10; 56.10]	kJ/mol
ΔfH°gas	56.10	kJ/mol	NIST
ΔfH°gas	23.10	kJ/mol	NIST
ΔfH°liquid	[-29.00; 4.00]	kJ/mol
ΔfH°liquid	4.00	kJ/mol	NIST
ΔfH°liquid	-29.00	kJ/mol	NIST
ΔfusH°	15.62	kJ/mol	Joback Calculated Property
ΔvapH°	[52.10; 58.30]	kJ/mol
ΔvapH°	58.30 ± 0.60	kJ/mol	NIST
ΔvapH°	52.30	kJ/mol	NIST
ΔvapH°	52.10	kJ/mol	NIST
IE	[7.50; 7.67]	eV
IE	7.56	eV	NIST
IE	7.50	eV	NIST
IE	7.67 ± 0.06	eV	NIST
log10WS	[-1.70; -1.70]
log10WS	-1.70		Aq. Solubility Prediction
log10WS	-1.70		Estimated Solubility
logPoct/wat	2.118		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	3		KDB
Pc	3708.97	kPa	Joback Calculated Property
Inp	[1100.00; 1128.00]
Inp	1100.00		NIST
Inp	1125.00		NIST
Inp	1128.00		NIST
Inp	1111.50		NIST
Inp	1100.00		NIST
I	[1738.00; 1761.00]
I	1740.90		NIST
I	1748.00		NIST
I	1738.00		NIST
I	1750.00		NIST
I	1751.00		NIST
I	1761.00		NIST
I	1740.90		NIST
I	1761.00		NIST
Tboil	[476.20; 479.70]	K
Tboil	Outlier 476.20	K	KDB
Tboil	477.90	K	NIST
Tboil	478.65 ± 0.50	K	NIST
Tboil	478.15 ± 0.60	K	NIST
Tboil	478.65 ± 0.35	K	NIST
Tboil	478.65 ± 0.30	K	NIST
Tboil	479.20 ± 0.20	K	NIST
Tboil	479.70 ± 1.00	K	NIST
Tboil	478.65 ± 1.00	K	NIST
Tboil	477.15 ± 5.00	K	NIST
Tc	698.00	K	KDB
Tfus	[209.53; 209.65]	K
Tfus	209.60	K	KDB
Tfus	209.53	K	Aq. Solubility Prediction
Tfus	209.65 ± 0.40	K	NIST
Vc	0.392	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	52.20	kJ/mol	394.00	NIST
ρl	[938.23; 963.00]	kg/m3	[293.00; 318.15]
ρl	963.00	kg/m3	293.00	KDB
ρl	952.41	kg/m3	303.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	947.69	kg/m3	308.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	942.95	kg/m3	313.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	938.23	kg/m3	318.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
csound,fluid	[1431.00; 1497.00]	m/s	[303.15; 323.15]
csound,fluid	1497.00	m/s	303.15	Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
csound,fluid	1497.00	m/s	303.15	Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane
csound,fluid	1462.00	m/s	313.15	Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
csound,fluid	1462.00	m/s	313.15	Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane
csound,fluid	1431.00	m/s	323.15	Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
csound,fluid	1431.00	m/s	323.15	Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.12; 350.42]	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			-3.94990e+01
Coefficient B			7.61120e-01
Coefficient C			-4.91200e-04
Coefficient D			1.20000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.12	J/mol×K	273.00	Calculated Property
Cp,gas	173.60	J/mol×K	353.78	Calculated Property
Cp,gas	208.34	J/mol×K	434.56	Calculated Property
Cp,gas	238.71	J/mol×K	515.33	Calculated Property
Cp,gas	265.09	J/mol×K	596.11	Calculated Property
Cp,gas	287.85	J/mol×K	676.89	Calculated Property
Cp,gas	307.39	J/mol×K	757.67	Calculated Property
Cp,gas	324.08	J/mol×K	838.44	Calculated Property
Cp,gas	338.30	J/mol×K	919.22	Calculated Property
Cp,gas	350.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[355.92; 509.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45550e+01
Coefficient B			-4.02911e+03
Coefficient C			-7.35200e+01
Temperature range, min.			355.92
Temperature range, max.			509.41
Pvap	1.33	kPa	355.92	Calculated Property
Pvap	3.00	kPa	372.97	Calculated Property
Pvap	6.20	kPa	390.03	Calculated Property
Pvap	11.89	kPa	407.08	Calculated Property
Pvap	21.40	kPa	424.14	Calculated Property
Pvap	36.47	kPa	441.19	Calculated Property
Pvap	59.28	kPa	458.25	Calculated Property
Pvap	92.47	kPa	475.30	Calculated Property
Pvap	139.10	kPa	492.36	Calculated Property
Pvap	202.67	kPa	509.41	Calculated Property
Pvap	[0.11; 109.37]	kPa	[311.15; 481.00]	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			3.29647e+01
Coefficient B			-7.19113e+03
Coefficient C			-2.06370e+00
Coefficient D			-2.48303e-06
Coefficient E			0.00000e+00
Temperature range, min.			311.15
Temperature range, max.			481.00
Pvap	0.11	kPa	311.15	Calculated Property
Pvap	0.35	kPa	330.02	Calculated Property
Pvap	0.97	kPa	348.89	Calculated Property
Pvap	2.42	kPa	367.77	Calculated Property
Pvap	5.47	kPa	386.64	Calculated Property
Pvap	11.36	kPa	405.51	Calculated Property
Pvap	21.89	kPa	424.38	Calculated Property
Pvap	39.52	kPa	443.26	Calculated Property
Pvap	67.42	kPa	462.13	Calculated Property
Pvap	109.37	kPa	481.00	Calculated Property
Pvap	[0.30; 107.94]	kPa	[323.00; 479.90]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.75981e+01
Coefficient B			-6.46800e+03
Coefficient C			2.08560e+01
Reference			Nelson and Wales, 1925
Temperature range, min.			323.00
Temperature range, max.			479.90
Pvap	0.30	kPa	323.00	Calculated Property
Pvap	0.74	kPa	340.43	Calculated Property
Pvap	1.68	kPa	357.87	Calculated Property
Pvap	3.57	kPa	375.30	Calculated Property
Pvap	7.09	kPa	392.73	Calculated Property
Pvap	13.36	kPa	410.17	Calculated Property
Pvap	23.93	kPa	427.60	Calculated Property
Pvap	41.06	kPa	445.03	Calculated Property
Pvap	67.74	kPa	462.47	Calculated Property
Pvap	107.94	kPa	479.90	Calculated Property

Similar Compounds

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

Mixtures

• Benzenamine, N-ethyl- + LACTIC ACID, ETHYL ESTER
• Benzenamine, N-ethyl- + Tetrahydrofuran
• Benzenamine, N-ethyl- + Diisopropyl ether

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
• Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
• Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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