Chemical Properties of Aniline (CAS 62-53-3)

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InChI

InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

InChI Key

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Formula

C6H7N

SMILES

Nc1ccccc1

Molecular Weight¹

93.13

CAS

62-53-3

Other Names

• Aminobenzene
• Aminophen
• Anilin
• Anilina
• Aniline Oil
• Aniline reagent
• Anyvim
• Benzenamine
• Benzene, amino-
• Benzeneamine
• Benzidam
• Blue Oil
• C.I. 76000
• C.I. Oxidation base 1
• Cyanol
• Huile D'aniline
• Krystallin
• Kyanol
• NCI-C03736
• Phenylamine
• Rcra waste number U012
• UN 1547

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (kJ/mol).
• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid: Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,liquid: Liquid phase 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_fH°_liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH: Enthalpy of fusion at a given temperature (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).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• Z_c: Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	882.50	kJ/mol	NIST
BasG	850.60	kJ/mol	NIST
ΔcH°liquid	[-3411.00; -3391.00]	kJ/mol
ΔcH°liquid	-3393.10 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-3392.00	kJ/mol	NIST
ΔcH°liquid	-3392.30	kJ/mol	NIST
ΔcH°liquid	-3391.00 ± 13.00	kJ/mol	NIST
ΔcH°liquid	-3411.00	kJ/mol	NIST
ΔcH°solid	-3391.00	kJ/mol	NIST
ΔfG°	178.50	kJ/mol	Joback Calculated Property
ΔfH°gas	[81.00; 87.03]	kJ/mol
ΔfH°gas	87.03 ± 0.88	kJ/mol	NIST
ΔfH°gas	82.40	kJ/mol	NIST
ΔfH°gas	83.20	kJ/mol	NIST
ΔfH°gas	81.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	85.40	kJ/mol	NIST
ΔfH°liquid	[30.00; 33.00]	kJ/mol
ΔfH°liquid	31.30 ± 0.84	kJ/mol	NIST
ΔfH°liquid	30.00	kJ/mol	NIST
ΔfH°liquid	30.80	kJ/mol	NIST
ΔfH°liquid	33.00	kJ/mol	NIST
ΔfusH°	10.53	kJ/mol	Joback Calculated Property
ΔvapH°	[50.21; 55.83]	kJ/mol
ΔvapH°	55.83	kJ/mol	NIST
ΔvapH°	55.83 ± 0.03	kJ/mol	NIST
ΔvapH°	55.77	kJ/mol	NIST
ΔvapH°	55.70	kJ/mol	NIST
ΔvapH°	52.70	kJ/mol	NIST
ΔvapH°	52.40	kJ/mol	NIST
ΔvapH°	50.21	kJ/mol	NIST
IE	[7.48; 8.35]	eV
IE	7.72 ± 0.00	eV	NIST
IE	7.74 ± 0.01	eV	NIST
IE	7.72 ± 0.00	eV	NIST
IE	7.72 ± 0.00	eV	NIST
IE	7.48	eV	NIST
IE	8.00	eV	NIST
IE	Outlier 8.27 ± 0.05	eV	NIST
IE	7.80	eV	NIST
IE	Outlier 8.35	eV	NIST
IE	7.71 ± 0.01	eV	NIST
IE	7.65 ± 0.02	eV	NIST
IE	7.60 ± 0.10	eV	NIST
IE	7.71	eV	NIST
IE	7.66	eV	NIST
IE	7.63	eV	NIST
IE	7.89 ± 0.03	eV	NIST
IE	8.10 ± 0.10	eV	NIST
IE	7.70 ± 0.01	eV	NIST
IE	7.89	eV	NIST
IE	7.61 ± 0.05	eV	NIST
IE	7.68	eV	NIST
IE	7.67 ± 0.03	eV	NIST
IE	7.70	eV	NIST
IE	7.70 ± 0.02	eV	NIST
IE	7.69 ± 0.02	eV	NIST
IE	8.05	eV	NIST
IE	8.02	eV	NIST
IE	8.04	eV	NIST
IE	8.05	eV	NIST
IE	8.03	eV	NIST
IE	8.05	eV	NIST
IE	8.10	eV	NIST
IE	8.02	eV	NIST
IE	8.05	eV	NIST
logPoct/wat	1.269		Crippen Calculated Property
Pc	[5294.23; 5319.56]	kPa
Pc	5310.00 ± 91.19	kPa	NIST
Pc	5300.00 ± 91.19	kPa	NIST
Pc	5299.30 ± 101.32	kPa	NIST
Pc	5294.23 ± 1.00	kPa	NIST
Pc	5304.36 ± 1.00	kPa	NIST
Pc	5319.56 ± 101.32	kPa	NIST
S°liquid	191.30	J/mol×K	NIST
S°liquid	191.60	J/mol×K	NIST
Tboil	[455.00; 458.00]	K
Tboil	457.70 ± 0.40	K	NIST
Tboil	457.20	K	NIST
Tboil	457.20	K	NIST
Tboil	457.70 ± 0.50	K	NIST
Tboil	457.10 ± 0.40	K	NIST
Tboil	457.25 ± 0.30	K	NIST
Tboil	457.40 ± 0.60	K	NIST
Tboil	457.00 ± 0.30	K	NIST
Tboil	457.70 ± 0.40	K	NIST
Tboil	457.06 ± 0.15	K	NIST
Tboil	457.60 ± 0.40	K	NIST
Tboil	457.10 ± 9.20	K	NIST
Tboil	457.30 ± 0.40	K	NIST
Tboil	457.50 ± 0.40	K	NIST
Tboil	457.10 ± 0.40	K	NIST
Tboil	455.70 ± 2.00	K	NIST
Tboil	457.50 ± 0.40	K	NIST
Tboil	457.08 ± 0.07	K	NIST
Tboil	457.50 ± 0.30	K	NIST
Tboil	457.40 ± 0.60	K	NIST
Tboil	457.50 ± 0.30	K	NIST
Tboil	457.50 ± 0.30	K	NIST
Tboil	457.82 ± 0.20	K	NIST
Tboil	457.20 ± 0.30	K	NIST
Tboil	457.60 ± 0.40	K	NIST
Tboil	457.60 ± 0.30	K	NIST
Tboil	457.50 ± 0.50	K	NIST
Tboil	Outlier 455.00 ± 1.00	K	NIST
Tboil	457.50 ± 0.30	K	NIST
Tboil	457.60 ± 0.40	K	NIST
Tboil	457.50 ± 0.50	K	NIST
Tboil	457.60 ± 0.40	K	NIST
Tboil	457.70 ± 0.30	K	NIST
Tboil	455.90 ± 0.30	K	NIST
Tboil	456.00 ± 0.30	K	NIST
Tboil	458.00 ± 0.10	K	NIST
Tboil	457.00 ± 1.00	K	NIST
Tboil	457.60 ± 0.30	K	NIST
Tboil	457.60 ± 0.40	K	NIST
Tboil	457.60 ± 0.40	K	NIST
Tboil	457.60 ± 0.50	K	NIST
Tboil	457.00 ± 1.50	K	NIST
Tboil	456.00 ± 2.00	K	NIST
Tboil	Outlier 455.00 ± 1.50	K	NIST
Tboil	Outlier 455.00 ± 5.00	K	NIST
Tboil	Outlier 455.10 ± 11.11	K	NIST
Tc	[698.50; 699.10]	K
Tc	699.00	K	NIST
Tc	698.95 ± 6.00	K	NIST
Tc	698.80 ± 2.00	K	NIST
Tc	698.50 ± 2.00	K	NIST
Tc	699.10 ± 1.00	K	NIST
Tc	698.90 ± 1.00	K	NIST
Tc	698.55 ± 1.00	K	NIST
Tc	698.75 ± 1.00	K	NIST
Tfus	[265.00; 279.33]	K
Tfus	267.00	K	NIST
Tfus	267.65 ± 0.40	K	NIST
Tfus	265.00 ± 1.00	K	NIST
Tfus	267.11 ± 0.10	K	NIST
Tfus	267.13 ± 0.07	K	NIST
Tfus	Outlier 279.25 ± 0.40	K	NIST
Tfus	267.05 ± 0.30	K	NIST
Tfus	267.20 ± 0.50	K	NIST
Tfus	267.12 ± 0.10	K	NIST
Tfus	267.15 ± 0.05	K	NIST
Tfus	267.25 ± 0.50	K	NIST
Tfus	267.00 ± 0.15	K	NIST
Tfus	266.85 ± 0.05	K	NIST
Tfus	267.05 ± 0.30	K	NIST
Tfus	267.00 ± 1.50	K	NIST
Tfus	267.10 ± 0.05	K	NIST
Tfus	266.91 ± 0.10	K	NIST
Tfus	266.65 ± 0.20	K	NIST
Tfus	266.99 ± 0.20	K	NIST
Tfus	266.95 ± 0.25	K	NIST
Tfus	Outlier 279.33 ± 0.30	K	NIST
Tfus	266.95 ± 0.30	K	NIST
Tfus	267.05 ± 0.20	K	NIST
Tfus	265.00 ± 2.00	K	NIST
Ttriple	267.13 ± 0.02	K	NIST
Ttriple	267.30 ± 0.20	K	NIST
Ttriple	266.90 ± 0.10	K	NIST
Vc	0.292	m3/kg-mol	Joback Calculated Property
Zc	0.2600000 ± 0.0030000		NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	149.06	J/mol×K	435.89	Joback Calculated Property
Cp,liquid	[109.20; 197.50]	J/mol×K	[267.30; 323.00]
Cp,liquid	109.20	J/mol×K	267.3	NIST
Cp,liquid	183.70	J/mol×K	288.0	NIST
Cp,liquid	192.00	J/mol×K	293.0	NIST
Cp,liquid	194.10	J/mol×K	298.0	NIST
Cp,liquid	193.70	J/mol×K	298.0	NIST
Cp,liquid	192.50	J/mol×K	298.0	NIST
Cp,liquid	191.01	J/mol×K	298.15	NIST
Cp,liquid	192.05	J/mol×K	298.15	NIST
Cp,liquid	178.80	J/mol×K	298.15	NIST
Cp,liquid	190.92	J/mol×K	298.2	NIST
Cp,liquid	193.38	J/mol×K	298.2	NIST
Cp,liquid	197.50	J/mol×K	323.0	NIST
ΔfusH	[10.54; 10.92]	kJ/mol	[266.80; 267.30]
ΔfusH	10.56	kJ/mol	266.8	NIST
ΔfusH	10.54	kJ/mol	267.1	NIST
ΔfusH	10.54	kJ/mol	267.1	NIST
ΔfusH	10.54	kJ/mol	267.13	NIST
ΔfusH	10.92	kJ/mol	267.3	NIST
ΔvapH	[42.20; 54.00]	kJ/mol	[293.00; 506.00]
ΔvapH	52.90	kJ/mol	293.0	NIST
ΔvapH	52.20	kJ/mol	305.5	NIST
ΔvapH	53.00	kJ/mol	333.0	NIST
ΔvapH	51.40	kJ/mol	349.5	NIST
ΔvapH	54.00	kJ/mol	380.5	NIST
ΔvapH	53.60	kJ/mol	394.5	NIST
ΔvapH	48.60	kJ/mol	415.5	NIST
ΔvapH	51.00 ± 0.20	kJ/mol	424.5	NIST
ΔvapH	48.00 ± 0.20	kJ/mol	424.5	NIST
ΔvapH	45.20 ± 0.20	kJ/mol	424.5	NIST
ΔvapH	42.20 ± 0.40	kJ/mol	424.5	NIST
ΔvapH	42.44	kJ/mol	457.2	NIST
ΔvapH	46.30	kJ/mol	489.0	NIST
ΔvapH	45.80	kJ/mol	506.0	NIST
ΔfusS	39.57	J/mol×K	266.8	NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring)	1
=CH- (ring)	5
-NH2	1

Similar Compounds

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