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

• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.20	kJ/mol	Hypothe...
ΔvapH°	79.40 ± 4.70	kJ/mol	NIST
log10WS	[-2.68; -2.68]
log10WS	-2.68		Aq. Sol...
log10WS	-2.68		Estimat...
logPoct/wat	2.783		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Ttriple	351.70	K	Thermod...

Similar Compounds

Find more compounds similar to 1,7-Phenanthroline.

Sources

• 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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