Chemical Properties of Aniline, 3-ethyl- (CAS 587-02-0)

InChI

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

InChI Key

AMKPQMFZCBTTAT-UHFFFAOYSA-N

Formula

C8H11N

SMILES

CCc1cccc(N)c1

Molecular Weight¹

121.18

CAS

587-02-0

Other Names

• 3-C2H5C6H4NH2
• 3-Ethylaniline
• Aniline, m-ethyl-
• Benzenamine, 3-ethyl-
• m-Ethylaniline

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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_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
PAff	897.90	kJ/mol	NIST
BasG	866.10	kJ/mol	NIST
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°	46.98	kJ/mol	Joback Calculated Property
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	[1141.00; 1141.00]
Inp	1141.00		NIST
Inp	1141.00		NIST
I	[1924.30; 1924.30]
I	1924.30		NIST
I	1924.30		NIST
Tboil	[485.20; 487.00]	K
Tboil	485.20	K	NIST
Tboil	487.00 ± 1.00	K	NIST
Tc	710.97	K	Joback Calculated Property
Tfus	302.12	K	Joback Calculated Property
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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[364.72; 514.51]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49758e+01
Coefficient B			-4.23229e+03
Coefficient C			-7.65780e+01
Temperature range, min.			364.72
Temperature range, max.			514.51
Pvap	1.33	kPa	364.72	Calculated Property
Pvap	2.97	kPa	381.36	Calculated Property
Pvap	6.10	kPa	398.01	Calculated Property
Pvap	11.67	kPa	414.65	Calculated Property
Pvap	20.99	kPa	431.29	Calculated Property
Pvap	35.84	kPa	447.94	Calculated Property
Pvap	58.43	kPa	464.58	Calculated Property
Pvap	91.52	kPa	481.22	Calculated Property
Pvap	138.34	kPa	497.87	Calculated Property
Pvap	202.66	kPa	514.51	Calculated Property

Similar Compounds

Find more compounds similar to Aniline, 3-ethyl-.

Sources

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

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