Chemical Properties of Pyroquilon (CAS 57369-32-1)

InChI

InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2

InChI Key

XRJLAOUDSILTFT-UHFFFAOYSA-N

Formula

C11H11NO

SMILES

O=C1CCc2cccc3c2N1CC3

Molecular Weight¹

173.21

CAS

57369-32-1

Other Names

• 1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
• 4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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	0.5463		Relay (1.0) Calculated Property
ΔfG°	94.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-27.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-1.95		Relay (1.0) Calculated Property
logPoct/wat	1.522		Crippen Calculated Property
McVol	131.920	ml/mol	McGowan Calculated Property
Pc	3417.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[1797.00; 1837.00]
Inp	1837.00		NIST
Inp	1797.00		NIST
Inp	1837.00		NIST
Tboil	605.38	K	Relay (1.0) Calculated Property
Tc	887.18	K	Relay (1.0) Calculated Property
Tfus	381.12	K	Relay (1.0) Calculated Property
Vc	0.506	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyroquilon.

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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