Chemical Properties of Methyltartronic acid (CAS 595-98-2)

InChI

InChI=1S/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8)

InChI Key

LNRVTEQEGXVMEF-UHFFFAOYSA-N

Formula

C4H6O5

SMILES

CC(O)(C(=O)O)C(=O)O

Molecular Weight¹

134.09

CAS

595-98-2

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

Physical Properties

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.62; 267.39]	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			-1.07300e+01
Coefficient B			6.45220e-01
Coefficient C			-5.41200e-04
Coefficient D			1.74100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.62	J/mol×K	273.00	Calculated Property
Cp,gas	157.51	J/mol×K	353.78	Calculated Property
Cp,gas	181.74	J/mol×K	434.56	Calculated Property
Cp,gas	201.87	J/mol×K	515.33	Calculated Property
Cp,gas	218.46	J/mol×K	596.11	Calculated Property
Cp,gas	232.04	J/mol×K	676.89	Calculated Property
Cp,gas	243.18	J/mol×K	757.67	Calculated Property
Cp,gas	252.41	J/mol×K	838.44	Calculated Property
Cp,gas	260.30	J/mol×K	919.22	Calculated Property
Cp,gas	267.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003824; 0.0001094]	Pa×s	[519.28; 614.73]	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			-1.59285e+01
Coefficient B			4.18509e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			519.28
Temperature range, max.			614.73
η	0.0003824	Pa×s	519.28	Calculated Property
η	0.0003254	Pa×s	529.89	Calculated Property
η	0.0002787	Pa×s	540.49	Calculated Property
η	0.0002401	Pa×s	551.10	Calculated Property
η	0.0002080	Pa×s	561.70	Calculated Property
η	0.0001812	Pa×s	572.31	Calculated Property
η	0.0001586	Pa×s	582.91	Calculated Property
η	0.0001395	Pa×s	593.52	Calculated Property
η	0.0001233	Pa×s	604.12	Calculated Property
η	0.0001094	Pa×s	614.73	Calculated Property

Similar Compounds

Find more compounds similar to Methyltartronic 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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