Chemical Properties of 3-Methylbenzyl radical

InChI

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

InChI Key

GMRODCVDNXSFAA-UHFFFAOYSA-N

Formula

C8H9

SMILES

[CH2]c1cccc(C)c1

Molecular Weight¹

105.16

• ω : Acentric Factor.
• 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
ω	0.3550		Relay (1.0) Calculated Property
EA	0.89 ± 0.15	eV	NIST
ΔfG°	171.64	kJ/mol	Joback Calculated Property
ΔfH°gas	102.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	42.61	kJ/mol	Relay (1.0) Calculated Property
IE	[7.12; 7.65]	eV
IE	7.12 ± 0.02	eV	NIST
IE	7.65 ± 0.03	eV	NIST
log10WS	-2.31		Relay (1.0) 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	424.61	K	Relay (1.0) Calculated Property
Tc	624.81	K	Relay (1.0) Calculated Property
Tfus	180.63	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.97; 294.36]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.43990e+01
Coefficient B			7.28520e-01
Coefficient C			-5.82960e-04
Coefficient D			1.93200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.97	J/mol×K	273.00	Calculated Property
Cp,gas	148.93	J/mol×K	353.78	Calculated Property
Cp,gas	177.95	J/mol×K	434.56	Calculated Property
Cp,gas	202.66	J/mol×K	515.33	Calculated Property
Cp,gas	223.65	J/mol×K	596.11	Calculated Property
Cp,gas	241.55	J/mol×K	676.89	Calculated Property
Cp,gas	256.95	J/mol×K	757.67	Calculated Property
Cp,gas	270.49	J/mol×K	838.44	Calculated Property
Cp,gas	282.75	J/mol×K	919.22	Calculated Property
Cp,gas	294.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009752; 0.0003075]	Pa×s	[235.23; 434.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.44852e+00
Coefficient B			5.91750e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			235.23
Temperature range, max.			434.59
η	0.0009752	Pa×s	235.23	Calculated Property
η	0.0007853	Pa×s	257.38	Calculated Property
η	0.0006545	Pa×s	279.53	Calculated Property
η	0.0005603	Pa×s	301.68	Calculated Property
η	0.0004900	Pa×s	323.84	Calculated Property
η	0.0004359	Pa×s	345.99	Calculated Property
η	0.0003932	Pa×s	368.14	Calculated Property
η	0.0003589	Pa×s	390.29	Calculated Property
η	0.0003309	Pa×s	412.44	Calculated Property
η	0.0003075	Pa×s	434.59	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylbenzyl radical.

Sources

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

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