Chemical Properties of [2H6]ethanol (CAS 1516-08-1)

InChI

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D

InChI Key

LFQSCWFLJHTTHZ-LIDOUZCJSA-N

Formula

C2H6O

SMILES

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

Molecular Weight¹

52.11

CAS

1516-08-1

Other Names

• Ethanol-d6-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[60.41; 141.18]	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			6.36100e+00
Coefficient B			2.27820e-01
Coefficient C			-1.15400e-04
Coefficient D			2.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	60.41	J/mol×K	273.00	Calculated Property
Cp,gas	73.51	J/mol×K	353.78	Calculated Property
Cp,gas	85.41	J/mol×K	434.56	Calculated Property
Cp,gas	96.18	J/mol×K	515.33	Calculated Property
Cp,gas	105.90	J/mol×K	596.11	Calculated Property
Cp,gas	114.64	J/mol×K	676.89	Calculated Property
Cp,gas	122.47	J/mol×K	757.67	Calculated Property
Cp,gas	129.45	J/mol×K	838.44	Calculated Property
Cp,gas	135.67	J/mol×K	919.22	Calculated Property
Cp,gas	141.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.7520215; 0.0003790]	Pa×s	[159.15; 349.59]	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			-1.42237e+01
Coefficient B			2.21835e+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.			159.15
Temperature range, max.			349.59
η	0.7520215	Pa×s	159.15	Calculated Property
η	0.1465025	Pa×s	180.31	Calculated Property
η	0.0402418	Pa×s	201.47	Calculated Property
η	0.0141313	Pa×s	222.63	Calculated Property
η	0.0059509	Pa×s	243.79	Calculated Property
η	0.0028772	Pa×s	264.95	Calculated Property
η	0.0015490	Pa×s	286.11	Calculated Property
η	0.0009082	Pa×s	307.27	Calculated Property
η	0.0005704	Pa×s	328.43	Calculated Property
η	0.0003790	Pa×s	349.59	Calculated Property

Similar Compounds

Find more compounds similar to [2H6]ethanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.