Chemical Properties of Methyl-d3 radical

InChI

InChI=1S/CH3/h1H3/i1D3

InChI Key

WCYWZMWISLQXQU-FIBGUPNXSA-N

Formula

CH3

SMILES

[2H][C]([2H])[2H]

Molecular Weight¹

18.05

Other Names

• CD3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfusH°	0.03	kJ/mol	Joback Calculated Property
IE	[9.50; 9.83]	eV
IE	9.50 ± 0.10	eV	NIST
IE	9.83 ± 0.00	eV	NIST
IE	9.83 ± 0.01	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 formation at standard conditions, 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	[21.18; 54.79]	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			-1.84300e+01
Coefficient B			2.01920e-01
Coefficient C			-2.38000e-04
Coefficient D			1.09300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	21.18	J/mol×K	273.00	Calculated Property
Cp,gas	28.06	J/mol×K	353.78	Calculated Property
Cp,gas	33.34	J/mol×K	434.56	Calculated Property
Cp,gas	37.38	J/mol×K	515.33	Calculated Property
Cp,gas	40.52	J/mol×K	596.11	Calculated Property
Cp,gas	43.10	J/mol×K	676.89	Calculated Property
Cp,gas	45.47	J/mol×K	757.67	Calculated Property
Cp,gas	47.98	J/mol×K	838.44	Calculated Property
Cp,gas	50.97	J/mol×K	919.22	Calculated Property
Cp,gas	54.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000290; 0.0000365]	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			-1.00277e+01
Coefficient B			-4.95300e+01
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.			117.40
Temperature range, max.			259.87
η	0.0000290	Pa×s	117.40	Calculated Property
η	0.0000304	Pa×s	133.23	Calculated Property
η	0.0000317	Pa×s	149.06	Calculated Property
η	0.0000327	Pa×s	164.89	Calculated Property
η	0.0000336	Pa×s	180.72	Calculated Property
η	0.0000343	Pa×s	196.55	Calculated Property
η	0.0000350	Pa×s	212.38	Calculated Property
η	0.0000355	Pa×s	228.21	Calculated Property
η	0.0000360	Pa×s	244.04	Calculated Property
η	0.0000365	Pa×s	259.87	Calculated Property

Similar Compounds

Find more compounds similar to Methyl-d3 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.