Chemical Properties of 2-aminobenzaldehyde (CAS 529-23-7)

InChI

InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2

InChI Key

FXWFZIRWWNPPOV-UHFFFAOYSA-N

Formula

C7H7NO

SMILES

Nc1ccccc1C=O

Molecular Weight¹

121.14

CAS

529-23-7

Other Names

• Benzaldehyde, 2-amino-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_np : Non-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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.02	kJ/mol	Joback Calculated Property
ΔvapH°	62.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-1.21		Relay (1.0) Calculated Property
logPoct/wat	1.081		Crippen Calculated Property
McVol	97.280	ml/mol	McGowan Calculated Property
Inp	1222.00		NIST
Tboil	528.43	K	Relay (1.0) Calculated Property
Tc	802.08	K	Relay (1.0) Calculated Property
Tfus	[311.65; 313.00]	K
Tfus	311.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	313.00	K	NIST

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[124.56; 285.65]	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			-5.19000e+00
Coefficient B			5.66800e-01
Coefficient C			-3.57560e-04
Coefficient D			8.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.56	J/mol×K	273.00	Calculated Property
Cp,gas	154.19	J/mol×K	353.78	Calculated Property
Cp,gas	180.29	J/mol×K	434.56	Calculated Property
Cp,gas	203.11	J/mol×K	515.33	Calculated Property
Cp,gas	222.91	J/mol×K	596.11	Calculated Property
Cp,gas	239.95	J/mol×K	676.89	Calculated Property
Cp,gas	254.49	J/mol×K	757.67	Calculated Property
Cp,gas	266.78	J/mol×K	838.44	Calculated Property
Cp,gas	277.08	J/mol×K	919.22	Calculated Property
Cp,gas	285.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-aminobenzaldehyde.

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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