Chemical Properties of 4-Hydroxyantipyrene (CAS 1672-63-5)

InChI

InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3

InChI Key

SKVPTPMWXJSBTF-UHFFFAOYSA-N

Formula

C11H12N2O2

SMILES

Cc1c(O)c(=O)n(-c2ccccc2)n1C

Molecular Weight¹

204.23

CAS

1672-63-5

• 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	0.6655		Relay (... Calculated Property
ΔfG°	103.21	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-70.15	kJ/mol	Relay (... Calculated Property
ΔvapH°	93.56	kJ/mol	Relay (... Calculated Property
IE	7.77	eV	Relay (... Calculated Property
log10WS	-0.50		Relay (... Calculated Property
logPoct/wat	1.190		Crippen Calculated Property
McVol	154.330	ml/mol	McGowan Calculated Property
Pc	4521.51	kPa	Relay (... Calculated Property ⚠️
Inp	[1873.00; 1873.00]
Inp	1873.00		NIST
Inp	1873.00		NIST
Tboil	598.12	K	Relay (... Calculated Property
Tc	893.86	K	Relay (... Calculated Property
Tfus	447.53	K	Relay (... Calculated Property
Vc	0.573	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxyantipyrene.

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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