Chemical Properties of Benzyl radical (CAS 2154-56-5)

InChI

InChI=1S/C7H7/c1-7-5-3-2-4-6-7/h2-6H,1H2

InChI Key

SLRMQYXOBQWXCR-UHFFFAOYSA-N

Formula

C7H7

SMILES

[CH2]c1ccccc1

Molecular Weight¹

91.13

CAS

2154-56-5

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• Δ_fH_{(+) ion,0K} : Enthalpy of formation of positive ion at 0K (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3076		Relay (1.0) Calculated Property
PAff	831.40	kJ/mol	NIST
BasG	800.70	kJ/mol	NIST
EA	[0.76; 2.35]	eV
EA	0.91 ± 0.01	eV	NIST
EA	0.98 ± 0.09	eV	NIST
EA	0.86 ± 0.01	eV	NIST
EA	0.89 ± 0.07	eV	NIST
EA	Outlier 2.35 ± 0.07	eV	NIST
EA	1.08	eV	NIST
EA	0.76	eV	NIST
EA	0.80	eV	NIST
ΔfG°	172.85	kJ/mol	Joback Calculated Property
ΔfH°gas	207.00 ± 4.00	kJ/mol	NIST
ΔfH°(+) ion	900.00 ± 6.70	kJ/mol	NIST
ΔfH(+) ion,0K	918.80 ± 5.00	kJ/mol	NIST
ΔfusH°	9.61	kJ/mol	Joback Calculated Property
ΔvapH°	37.47	kJ/mol	Relay (1.0) Calculated Property
IE	[7.20; 7.76]	eV
IE	7.24 ± 0.01	eV	NIST
IE	7.24	eV	NIST
IE	7.25 ± 0.00	eV	NIST
IE	7.25 ± 0.00	eV	NIST
IE	7.20	eV	NIST
IE	7.20 ± 0.02	eV	NIST
IE	7.27 ± 0.03	eV	NIST
IE	7.63	eV	NIST
IE	7.50 ± 0.10	eV	NIST
IE	Outlier 7.76 ± 0.08	eV	NIST
IE	7.43 ± 0.06	eV	NIST
log10WS	-1.88		Relay (1.0) Calculated Property
logPoct/wat	1.869		Crippen Calculated Property
McVol	83.580	ml/mol	McGowan Calculated Property
Pc	4356.87	kPa	Joback Calculated Property
Tboil	399.09	K	Relay (1.0) Calculated Property
Tc	598.97	K	Relay (1.0) Calculated Property
Tfus	178.65	K	Relay (1.0) Calculated Property
Vc	0.300	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.74; 186.79]	J/mol×K	[385.74; 593.36]
Cp,gas	132.74	J/mol×K	385.74	Joback Calculated Property
Cp,gas	143.59	J/mol×K	420.34	Joback Calculated Property
Cp,gas	153.63	J/mol×K	454.95	Joback Calculated Property
Cp,gas	162.92	J/mol×K	489.55	Joback Calculated Property
Cp,gas	171.51	J/mol×K	524.15	Joback Calculated Property
Cp,gas	179.45	J/mol×K	558.75	Joback Calculated Property
Cp,gas	186.79	J/mol×K	593.36	Joback Calculated Property
η	[0.0003147; 0.0010170]	Pa×s	[211.44; 385.74]
η	0.0010170	Pa×s	211.44	Joback Calculated Property
η	0.0007433	Pa×s	240.49	Joback Calculated Property
η	0.0005812	Pa×s	269.54	Joback Calculated Property
η	0.0004767	Pa×s	298.59	Joback Calculated Property
η	0.0004050	Pa×s	327.64	Joback Calculated Property
η	0.0003534	Pa×s	356.69	Joback Calculated Property
η	0.0003147	Pa×s	385.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzyl radical.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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