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

• 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
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°	33.31	kJ/mol	Joback 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	-1.57		Crippen 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	385.54	K	Joback Calculated Property
Tc	593.05	K	Joback Calculated Property
Tfus	211.44	K	Joback Calculated Property
Vc	0.310	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.68; 186.73]	J/mol×K	[385.54; 593.05]
Cp,gas	132.68	J/mol×K	385.54	Joback Calculated Property
Cp,gas	143.52	J/mol×K	420.12	Joback Calculated Property
Cp,gas	153.56	J/mol×K	454.71	Joback Calculated Property
Cp,gas	162.85	J/mol×K	489.29	Joback Calculated Property
Cp,gas	171.44	J/mol×K	523.88	Joback Calculated Property
Cp,gas	179.38	J/mol×K	558.46	Joback Calculated Property
Cp,gas	186.73	J/mol×K	593.05	Joback Calculated Property
η	[0.0003150; 0.0010170]	Pa×s	[211.44; 385.54]
η	0.0010170	Pa×s	211.44	Joback Calculated Property
η	0.0007435	Pa×s	240.46	Joback Calculated Property
η	0.0005815	Pa×s	269.47	Joback Calculated Property
η	0.0004770	Pa×s	298.49	Joback Calculated Property
η	0.0004053	Pa×s	327.51	Joback Calculated Property
η	0.0003536	Pa×s	356.52	Joback Calculated Property
η	0.0003150	Pa×s	385.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzyl radical.

Sources

• Crippen Method
• Crippen Method
• Joback 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.