Chemical Properties of 2(1H)-Quinolinone (CAS 59-31-4)

InChI

InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)

InChI Key

LISFMEBWQUVKPJ-UHFFFAOYSA-N

Formula

C9H7NO

SMILES

O=c1ccc2ccccc2[nH]1

Molecular Weight¹

145.16

CAS

59-31-4

Other Names

• Carbostyril
• «alpha»-Hydroxyquinoline
• «alpha»-Quinolone
• o-Aminocinnamic acid lactam
• 2(1H)-Quinolone
• 2-Hydroxyquinoline
• 2-Quinolinol
• 1H-Quinolin-2-one
• 2-Quinolinone
• 2-Quinolone
• NSC 156783

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_c : Critical Pressure (kPa).
• 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	0.4816		Relay (1.0) Calculated Property
ΔcH°solid	-4397.10 ± 2.00	kJ/mol	NIST
ΔfG°	93.44	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-25.50 ± 2.40	kJ/mol	NIST
ΔfH°solid	-144.90 ± 2.30	kJ/mol	NIST
ΔsubH°	[119.40; 119.40]	kJ/mol
ΔsubH°	119.40 ± 0.60	kJ/mol	NIST
ΔsubH°	119.40 ± 0.60	kJ/mol	NIST
ΔvapH°	98.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	NIST
log10WS	-1.67		Relay (1.0) Calculated Property
logPoct/wat	1.046		Crippen Calculated Property
McVol	110.300	ml/mol	McGowan Calculated Property
Pc	5081.27	kPa	Relay (1.0-beta) Calculated Property
Tboil	604.46	K	Relay (1.0) Calculated Property
Tc	857.92	K	Relay (1.0) Calculated Property
Tfus	448.03	K	Relay (1.0) Calculated Property
Vc	0.403	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2(1H)-Quinolinone.

Sources

• 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
• McGowan Method
• NIST Webbook

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