Chemical Properties of 4-Methylbenzyl radical (CAS 2348-52-9)

InChI

InChI=1S/C8H9/c1-7-3-5-8(2)6-4-7/h3-6H,1H2,2H3

InChI Key

GAFBGRBPYCNUCH-UHFFFAOYSA-N

Formula

C8H9

SMILES

[CH2]c1ccc(C)cc1

Molecular Weight¹

105.16

CAS

2348-52-9

• 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_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
EA	0.84 ± 0.14	eV	NIST
ΔfG°	171.64	kJ/mol	Joback Calculated Property
ΔfH°gas	72.42	kJ/mol	Joback Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	36.19	kJ/mol	Joback Calculated Property
IE	[6.96; 7.46]	eV
IE	6.96 ± 0.02	eV	NIST
IE	7.46 ± 0.03	eV	NIST
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	2.177		Crippen Calculated Property
McVol	97.670	ml/mol	McGowan Calculated Property
Pc	3782.33	kPa	Joback Calculated Property
Tboil	413.40	K	Joback Calculated Property
Tc	620.55	K	Joback Calculated Property
Tfus	235.23	K	Joback Calculated Property
Vc	0.366	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.79; 229.36]	J/mol×K	[413.40; 620.55]
Cp,gas	170.79	J/mol×K	413.40	Joback Calculated Property
Cp,gas	182.32	J/mol×K	447.92	Joback Calculated Property
Cp,gas	193.08	J/mol×K	482.45	Joback Calculated Property
Cp,gas	203.12	J/mol×K	516.97	Joback Calculated Property
Cp,gas	212.48	J/mol×K	551.50	Joback Calculated Property
Cp,gas	221.21	J/mol×K	586.02	Joback Calculated Property
Cp,gas	229.36	J/mol×K	620.55	Joback Calculated Property
η	[0.0003298; 0.0009752]	Pa×s	[235.23; 413.40]
η	0.0009752	Pa×s	235.23	Joback Calculated Property
η	0.0007356	Pa×s	264.93	Joback Calculated Property
η	0.0005873	Pa×s	294.62	Joback Calculated Property
η	0.0004886	Pa×s	324.31	Joback Calculated Property
η	0.0004193	Pa×s	354.01	Joback Calculated Property
η	0.0003684	Pa×s	383.70	Joback Calculated Property
η	0.0003298	Pa×s	413.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylbenzyl radical.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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