Chemical Properties of Methanol-D4 (CAS 811-98-3)

InChI

InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D

InChI Key

OKKJLVBELUTLKV-MZCSYVLQSA-N

Formula

CH4O

SMILES

[2H]OC([2H])([2H])[2H]

Molecular Weight¹

36.07

CAS

811-98-3

Other Names

• Tetradeuteromethanol
• CD3OD
• (2H4)methanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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°	2.43	kJ/mol	Joback Calculated Property
IE	[10.88; 11.00]	eV
IE	11.00	eV	NIST
IE	10.88 ± 0.00	eV	NIST
IE	10.98	eV	NIST
logPoct/wat	-0.391		Crippen Calculated Property
McVol	30.820	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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[39.20; 89.59]	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			7.27000e+00
Coefficient B			1.32820e-01
Coefficient C			-6.10000e-05
Coefficient D			1.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	39.20	J/mol×K	273.00	Calculated Property
Cp,gas	47.09	J/mol×K	353.78	Calculated Property
Cp,gas	54.33	J/mol×K	434.56	Calculated Property
Cp,gas	60.95	J/mol×K	515.33	Calculated Property
Cp,gas	66.99	J/mol×K	596.11	Calculated Property
Cp,gas	72.48	J/mol×K	676.89	Calculated Property
Cp,gas	77.45	J/mol×K	757.67	Calculated Property
Cp,gas	81.94	J/mol×K	838.44	Calculated Property
Cp,gas	85.97	J/mol×K	919.22	Calculated Property
Cp,gas	89.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2813370; 0.0003305]	Pa×s	[161.85; 333.06]	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			-1.43926e+01
Coefficient B			2.12419e+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.			161.85
Temperature range, max.			333.06
η	0.2813370	Pa×s	161.85	Calculated Property
η	0.0707542	Pa×s	180.87	Calculated Property
η	0.0231406	Pa×s	199.90	Calculated Property
η	0.0091908	Pa×s	218.92	Calculated Property
η	0.0042311	Pa×s	237.94	Calculated Property
η	0.0021849	Pa×s	256.97	Calculated Property
η	0.0012359	Pa×s	275.99	Calculated Property
η	0.0007524	Pa×s	295.01	Calculated Property
η	0.0004864	Pa×s	314.03	Calculated Property
η	0.0003305	Pa×s	333.06	Calculated Property

Similar Compounds

Find more compounds similar to Methanol-D4.

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.