Chemical Properties of Methyl radical, hydroxy-d1- (CAS 58456-46-5)

InChI

InChI=1S/CH3O/c1-2/h2H,1H2/i2D

InChI Key

CBOIHMRHGLHBPB-VMNATFBRSA-N

Formula

CH2DO

SMILES

[CH2]O

Molecular Weight¹

32.04

CAS

58456-46-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (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
ΔfH°gas	-9.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.12	kJ/mol	Joback Calculated Property
IE	[7.55; 7.55]	eV
IE	7.55 ± 0.02	eV	NIST
IE	7.55 ± 0.01	eV	NIST
logPoct/wat	0.150		Crippen Calculated Property
McVol	28.670	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	[33.68; 73.46]	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			-1.31390e+01
Coefficient B			2.35900e-01
Coefficient C			-2.68400e-04
Coefficient D			1.19100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	33.68	J/mol×K	273.00	Calculated Property
Cp,gas	42.00	J/mol×K	353.78	Calculated Property
Cp,gas	48.46	J/mol×K	434.56	Calculated Property
Cp,gas	53.45	J/mol×K	515.33	Calculated Property
Cp,gas	57.34	J/mol×K	596.11	Calculated Property
Cp,gas	60.50	J/mol×K	676.89	Calculated Property
Cp,gas	63.32	J/mol×K	757.67	Calculated Property
Cp,gas	66.17	J/mol×K	838.44	Calculated Property
Cp,gas	69.42	J/mol×K	919.22	Calculated Property
Cp,gas	73.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0259356; 0.0003461]	Pa×s	[178.22; 330.44]	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			-1.30229e+01
Coefficient B			1.67006e+03
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.			178.22
Temperature range, max.			330.44
η	0.0259356	Pa×s	178.22	Calculated Property
η	0.0115123	Pa×s	195.13	Calculated Property
η	0.0058169	Pa×s	212.05	Calculated Property
η	0.0032511	Pa×s	228.96	Calculated Property
η	0.0019684	Pa×s	245.87	Calculated Property
η	0.0012713	Pa×s	262.78	Calculated Property
η	0.0008657	Pa×s	279.70	Calculated Property
η	0.0006159	Pa×s	296.61	Calculated Property
η	0.0004546	Pa×s	313.52	Calculated Property
η	0.0003461	Pa×s	330.44	Calculated Property

Similar Compounds

Find more compounds similar to Methyl radical, hydroxy-d1-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.