Chemical Properties of Phenyl radical (CAS 2396-01-2)

InChI

InChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H

InChI Key

CIUQDSCDWFSTQR-UHFFFAOYSA-N

Formula

C6H5

SMILES

[c]1ccccc1

Molecular Weight¹

77.10

CAS

2396-01-2

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH_{(+) ion,0K} : Enthalpy of formation of positive ion at 0K (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2149		Relay (1.0) Calculated Property
PAff	884.00	kJ/mol	NIST
BasG	851.50	kJ/mol	NIST
EA	[1.10; 2.36]	eV
EA	1.10 ± 0.01	eV	NIST
EA	1.20 ± 0.20	eV	NIST
EA	2.36 ± 0.04	eV	NIST
EA	2.17	eV	NIST
ΔfG°	134.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	339.00 ± 8.00	kJ/mol	NIST
ΔfH(+) ion,0K	1149.00	kJ/mol	NIST
ΔvapH°	32.35	kJ/mol	Relay (1.0) Calculated Property
IE	[8.10; 9.20]	eV
IE	8.32 ± 0.04	eV	NIST
IE	8.10 ± 0.10	eV	NIST
IE	9.20	eV	NIST
IE	8.67 ± 0.02	eV	NIST
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	1.487		Crippen Calculated Property
McVol	69.490	ml/mol	McGowan Calculated Property
Pc	4846.92	kPa	Relay (1.0-beta) Calculated Property
Tboil	358.36	K	Relay (1.0) Calculated Property
Tc	572.64	K	Relay (1.0) Calculated Property
Tfus	222.73	K	Relay (1.0) Calculated Property
Vc	0.264	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenyl radical.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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