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_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
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	4683.90	kPa	Relay (1.0-beta) Calculated Property
Tboil	622.61	K	Relay (1.0) Calculated Property
Tc	924.76	K	Relay (1.0) Calculated Property
Tfus	382.56	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	0.527	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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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