Chemical Properties of Methyl radical (CAS 2229-07-4)

InChI

InChI=1S/CH3/h1H3

InChI Key

WCYWZMWISLQXQU-UHFFFAOYSA-N

Formula

CH3

SMILES

[CH3]

Molecular Weight¹

15.03

CAS

2229-07-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	[0.08; 1.13]	eV
EA	0.08 ± 0.03	eV	NIST
EA	0.50	eV	NIST
EA	0.62 ± 0.01	eV	NIST
EA	0.13	eV	NIST
EA	1.13	eV	NIST
EA	1.00 ± 1.10	eV	NIST
EA	1.08	eV	NIST
ΔfH°gas	147.00 ± 1.00	kJ/mol	NIST
ΔfH°(+) ion	1095.00	kJ/mol	NIST
ΔfH(+) ion,0K	1099.00	kJ/mol	NIST
ΔfusH°	0.03	kJ/mol	Joback Calculated Property
IE	[9.60; 9.87]	eV
IE	9.84 ± 0.01	eV	NIST
IE	9.84 ± 0.00	eV	NIST
IE	9.84	eV	NIST
IE	9.84 ± 0.02	eV	NIST
IE	9.84 ± 0.05	eV	NIST
IE	Outlier 9.60 ± 0.30	eV	NIST
IE	9.84 ± 0.01	eV	NIST
IE	9.86 ± 0.04	eV	NIST
IE	9.81 ± 0.02	eV	NIST
IE	9.84 ± 0.03	eV	NIST
IE	9.87 ± 0.05	eV	NIST
IE	9.83 ± 0.01	eV	NIST
IE	9.82 ± 0.04	eV	NIST
IE	9.84 ± 0.00	eV	NIST
IE	9.84 ± 0.01	eV	NIST
IE	9.82 ± 0.02	eV	NIST
IE	9.86 ± 0.04	eV	NIST
logPoct/wat	0.450		Crippen Calculated Property
McVol	22.800	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[38.68; 66.69]	J/mol×K	[298.00; 1400.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.81379e+01
Coefficient B			3.67474e+01
Coefficient C			-4.34722e+00
Coefficient D			-1.59567e+00
Coefficient E			1.86000e-03
Reference			Chase, 1998
Temperature range, min.			298.00
Temperature range, max.			1400.00
Cp,gas	38.68	J/mol×K	298.00	Calculated Property
Cp,gas	42.71	J/mol×K	420.44	Calculated Property
Cp,gas	46.56	J/mol×K	542.89	Calculated Property
Cp,gas	50.20	J/mol×K	665.33	Calculated Property
Cp,gas	53.61	J/mol×K	787.78	Calculated Property
Cp,gas	56.78	J/mol×K	910.22	Calculated Property
Cp,gas	59.69	J/mol×K	1032.67	Calculated Property
Cp,gas	62.33	J/mol×K	1155.11	Calculated Property
Cp,gas	64.66	J/mol×K	1277.56	Calculated Property
Cp,gas	66.69	J/mol×K	1400.00	Calculated Property
Cp,gas	[66.59; 81.92]	J/mol×K	[1400.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.71808e+01
Coefficient B			7.84642e+00
Coefficient C			-1.44090e+00
Coefficient D			9.26850e-02
Coefficient E			-1.76613e+01
Reference			Chase, 1998
Temperature range, min.			1400.00
Temperature range, max.			6000.00
Cp,gas	66.59	J/mol×K	1400.00	Calculated Property
Cp,gas	72.72	J/mol×K	1911.11	Calculated Property
Cp,gas	76.04	J/mol×K	2422.22	Calculated Property
Cp,gas	78.09	J/mol×K	2933.33	Calculated Property
Cp,gas	79.41	J/mol×K	3444.44	Calculated Property
Cp,gas	80.28	J/mol×K	3955.56	Calculated Property
Cp,gas	80.86	J/mol×K	4466.67	Calculated Property
Cp,gas	81.25	J/mol×K	4977.78	Calculated Property
Cp,gas	81.58	J/mol×K	5488.89	Calculated Property
Cp,gas	81.92	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000241; 0.0000304]	Pa×s	[117.40; 259.87]	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			-1.02106e+01
Coefficient B			-4.95300e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			117.40
Temperature range, max.			259.87
η	0.0000241	Pa×s	117.40	Calculated Property
η	0.0000254	Pa×s	133.23	Calculated Property
η	0.0000264	Pa×s	149.06	Calculated Property
η	0.0000272	Pa×s	164.89	Calculated Property
η	0.0000280	Pa×s	180.72	Calculated Property
η	0.0000286	Pa×s	196.55	Calculated Property
η	0.0000291	Pa×s	212.38	Calculated Property
η	0.0000296	Pa×s	228.21	Calculated Property
η	0.0000300	Pa×s	244.04	Calculated Property
η	0.0000304	Pa×s	259.87	Calculated Property

Similar Compounds

Find more compounds similar to Methyl radical.

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

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