Chemical Properties of 1,7-Phenanthroline (CAS 230-46-6)

InChI

InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H

InChI Key

OZKOMUDCMCEDTM-UHFFFAOYSA-N

Formula

C12H8N2

SMILES

c1cnc2c(c1)ccc1ncccc12

Molecular Weight¹

180.21

CAS

230-46-6

Other Names

• 1,5-diazaphenanthrene
• 1,7-phenantroline
• 4,10-phenanthroline
• m-phenanthroline
• pyrido[2,3-f]quinoline

• 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_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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4687		Relay (1.0) Calculated Property
ΔfG°	340.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	293.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.20	kJ/mol	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
ΔvapH°	79.40 ± 4.70	kJ/mol	NIST
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	[-2.68; -2.68]
log10WS	-2.68		Aq. Solubility Prediction
log10WS	-2.68		Estimated Solubility
logPoct/wat	2.783		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Pc	4693.34	kPa	Relay (1.0-beta) Calculated Property
Tboil	622.61	K	Relay (1.0) Calculated Property
Tc	924.90	K	Relay (1.0) Calculated Property
Tfus	383.08	K	Relay (1.0) Calculated Property
Ttriple	351.70	K	Thermodynamic study on six tricyclic nitrogen heterocyclic compounds by thermal analysis and effusion techniques
Vc	0.529	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,7-Phenanthroline.

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
• Thermodynamic study on six tricyclic nitrogen heterocyclic compounds by thermal analysis and effusion techniques
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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