Chemical Properties of [2H2]malonic [2H2]acid (CAS 813-56-9)

InChI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/i1D2/hD2

InChI Key

OFOBLEOULBTSOW-BGOGGDMHSA-N

Formula

C3H4O4

SMILES

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

Molecular Weight¹

108.09

CAS

813-56-9

Other Names

• Malonic acid-d4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.37; 195.66]	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			9.36100e+00
Coefficient B			3.90400e-01
Coefficient C			-2.84600e-04
Coefficient D			8.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.37	J/mol×K	273.00	Calculated Property
Cp,gas	115.42	J/mol×K	353.78	Calculated Property
Cp,gas	131.87	J/mol×K	434.56	Calculated Property
Cp,gas	145.98	J/mol×K	515.33	Calculated Property
Cp,gas	158.00	J/mol×K	596.11	Calculated Property
Cp,gas	168.19	J/mol×K	676.89	Calculated Property
Cp,gas	176.79	J/mol×K	757.67	Calculated Property
Cp,gas	184.07	J/mol×K	838.44	Calculated Property
Cp,gas	190.27	J/mol×K	919.22	Calculated Property
Cp,gas	195.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008390; 0.0003577]	Pa×s	[444.77; 541.07]	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			-1.18741e+01
Coefficient B			2.13080e+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.			444.77
Temperature range, max.			541.07
η	0.0008390	Pa×s	444.77	Calculated Property
η	0.0007497	Pa×s	455.47	Calculated Property
η	0.0006734	Pa×s	466.17	Calculated Property
η	0.0006077	Pa×s	476.87	Calculated Property
η	0.0005510	Pa×s	487.57	Calculated Property
η	0.0005016	Pa×s	498.27	Calculated Property
η	0.0004585	Pa×s	508.97	Calculated Property
η	0.0004206	Pa×s	519.67	Calculated Property
η	0.0003872	Pa×s	530.37	Calculated Property
η	0.0003577	Pa×s	541.07	Calculated Property

Similar Compounds

Find more compounds similar to [2H2]malonic [2H2]acid.

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

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