Chemical Properties of Acetic acid-d4 (CAS 1186-52-3)

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD

InChI Key

QTBSBXVTEAMEQO-GUEYOVJQSA-N

Formula

C2H4O2

SMILES

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

Molecular Weight¹

64.08

CAS

1186-52-3

Other Names

• [2H3]acetic [2H]acid
• ethanoic acid-d4

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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	[61.53; 133.29]	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			5.67000e+00
Coefficient B			2.44620e-01
Coefficient C			-1.57600e-04
Coefficient D			4.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	61.53	J/mol×K	273.00	Calculated Property
Cp,gas	74.28	J/mol×K	353.78	Calculated Property
Cp,gas	85.54	J/mol×K	434.56	Calculated Property
Cp,gas	95.43	J/mol×K	515.33	Calculated Property
Cp,gas	104.09	J/mol×K	596.11	Calculated Property
Cp,gas	111.63	J/mol×K	676.89	Calculated Property
Cp,gas	118.20	J/mol×K	757.67	Calculated Property
Cp,gas	123.91	J/mol×K	838.44	Calculated Property
Cp,gas	128.90	J/mol×K	919.22	Calculated Property
Cp,gas	133.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012388; 0.0002595]	Pa×s	[272.90; 411.29]	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			-1.13389e+01
Coefficient B			1.26770e+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.			272.90
Temperature range, max.			411.29
η	0.0012388	Pa×s	272.90	Calculated Property
η	0.0009669	Pa×s	288.28	Calculated Property
η	0.0007739	Pa×s	303.65	Calculated Property
η	0.0006328	Pa×s	319.03	Calculated Property
η	0.0005272	Pa×s	334.41	Calculated Property
η	0.0004462	Pa×s	349.78	Calculated Property
η	0.0003831	Pa×s	365.16	Calculated Property
η	0.0003329	Pa×s	380.53	Calculated Property
η	0.0002925	Pa×s	395.91	Calculated Property
η	0.0002595	Pa×s	411.29	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid-d4.

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.
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.