Chemical Properties of o-Phenanthroline (CAS 66-71-7)

InChI

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

InChI Key

DGEZNRSVGBDHLK-UHFFFAOYSA-N

Formula

C12H8N2

SMILES

c1cnc2c(c1)ccc1cccnc12

Molecular Weight¹

180.21

CAS

66-71-7

Other Names

• 1,10-Fenanthrolin
• 1,10-Phenanthroline
• 1,10-o-Phenanthroline
• 4,5-Diazaphenanthrene
• Activ-8 in hexylene glycol
• Orthophenanthroline
• Phenanthroline
• Solution forms containing 1,10-phenanthroline
• «beta»-Phenanthroline
• «beta»-Phenanthroline

• BasG : Gas basicity (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
BasG	908.00	kJ/mol	NIST
ΔfusH°	[11.80; 15.50]	kJ/mol
ΔfusH°	15.50	kJ/mol	Thermod...
ΔfusH°	11.80	kJ/mol	Heat ca...
IE	[8.30; 8.51]	eV
IE	8.30	eV	NIST
IE	8.51 ± 0.02	eV	NIST
log10WS	-1.53		Aq. Sol...
logPoct/wat	2.783		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Tfus	390.48	K	Aq. Sol...
Ttriple	390.90	K	Thermod...

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[11.80; 15.50]	kJ/mol	[391.10; 391.70]
ΔfusH	11.80	kJ/mol	391.10	NIST
ΔfusH	15.50	kJ/mol	391.70	NIST
ΔvapH	[72.10; 86.10]	kJ/mol	[298.00; 600.00]
ΔvapH	86.10	kJ/mol	298.00	Study o...
ΔvapH	77.70 ± 0.10	kJ/mol	520.00	NIST
ΔvapH	74.90 ± 0.20	kJ/mol	560.00	NIST
ΔvapH	72.10 ± 0.20	kJ/mol	600.00	NIST

Similar Compounds

Find more compounds similar to o-Phenanthroline.

Sources

• Crippen Method
• Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
• Heat capacities and molar enthalpies and entropies of fusion for anhydrous 1,10-phenanthroline and 2,9-dimethyl-1,10-phenanthroline
• Thermodynamic study on six tricyclic nitrogen heterocyclic compounds by thermal analysis and effusion techniques
• Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.