Chemical Properties of 1,10-Phenanthroline

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

Other Names

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

• ω : Acentric Factor.
• BasG : Gas basicity (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (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 standard conditions (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).
• 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	0.4678		Relay (1.0) Calculated Property
BasG	908.00	kJ/mol	NIST
ΔfH°gas	310.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[11.80; 15.50]	kJ/mol
ΔfusH°	15.50	kJ/mol	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
ΔfusH°	11.80	kJ/mol	Heat capacities and molar enthalpies and entropies of fusion for anhydrous 1,10-phenanthroline and 2,9-dimethyl-1,10-phenanthroline
ΔvapH°	80.61	kJ/mol	Relay (1.0) Calculated Property
IE	[8.30; 8.51]	eV
IE	8.30	eV	NIST
IE	8.51 ± 0.02	eV	NIST
log10WS	-1.53		Aq. Solubility Prediction
logPoct/wat	2.783		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Pc	4664.76	kPa	Relay (1.0-beta) Calculated Property
Tboil	621.13	K	Relay (1.0) Calculated Property
Tc	919.25	K	Relay (1.0) Calculated Property
Tfus	390.48	K	Aq. Solubility Prediction
Ttriple	390.90	K	Thermodynamic study on six tricyclic nitrogen heterocyclic compounds by thermal analysis and effusion techniques
Vc	0.525	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.

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 of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
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 1,10-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 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

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