Chemical Properties of O-AMINOBENZONITRILE

InChI

InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2

InChI Key

HLCPWBZNUKCSBN-UHFFFAOYSA-N

Formula

C7H6N2

SMILES

N#Cc1ccccc1N

Molecular Weight¹

118.14

Other Names

• 2-Aminobenzonitrile
• 2-Cyano-1-aminobenzene
• 2-Cyanoaniline
• Anthranilonitrile
• Benzonitrile, 2-amino-
• Benzonitrile, o-amino-
• o-Cyanoaniline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	234.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.24	kJ/mol	Joback Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-1.22		Relay (1.0) Calculated Property
logPoct/wat	1.140		Crippen Calculated Property
McVol	97.090	ml/mol	McGowan Calculated Property
Tboil	[535.50; 540.70]	K
Tboil	540.70	K	NIST
Tboil	535.50 ± 0.50	K	NIST
Tfus	[321.15; 323.50]	K
Tfus	321.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	323.50 ± 0.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.02; 271.35]	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			4.10000e-01
Coefficient B			5.27100e-01
Coefficient C			-3.33560e-04
Coefficient D			7.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.02	J/mol×K	273.00	Calculated Property
Cp,gas	148.57	J/mol×K	353.78	Calculated Property
Cp,gas	172.83	J/mol×K	434.56	Calculated Property
Cp,gas	194.05	J/mol×K	515.33	Calculated Property
Cp,gas	212.49	J/mol×K	596.11	Calculated Property
Cp,gas	228.37	J/mol×K	676.89	Calculated Property
Cp,gas	241.96	J/mol×K	757.67	Calculated Property
Cp,gas	253.49	J/mol×K	838.44	Calculated Property
Cp,gas	263.20	J/mol×K	919.22	Calculated Property
Cp,gas	271.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to O-AMINOBENZONITRILE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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