Chemical Properties of 2-Hydroxy-3-methoxycarbonyl-pentanedioic acid dimethyl ester

InChI

InChI=1S/C8H14O6/c1-12-5(4-6(9)13-2)7(10)8(11)14-3/h5,7,10H,4H2,1-3H3

InChI Key

BJOASXQKJRDION-UHFFFAOYSA-N

Formula

C8H14O6

SMILES

COC(=O)CC(OC)C(O)C(=O)OC

Molecular Weight¹

206.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, 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	[235.14; 486.52]	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			7.38610e+01
Coefficient B			6.36860e-01
Coefficient C			-1.48000e-04
Coefficient D			-7.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.14	J/mol×K	273.00	Calculated Property
Cp,gas	277.27	J/mol×K	353.78	Calculated Property
Cp,gas	316.41	J/mol×K	434.56	Calculated Property
Cp,gas	352.32	J/mol×K	515.33	Calculated Property
Cp,gas	384.77	J/mol×K	596.11	Calculated Property
Cp,gas	413.50	J/mol×K	676.89	Calculated Property
Cp,gas	438.29	J/mol×K	757.67	Calculated Property
Cp,gas	458.88	J/mol×K	838.44	Calculated Property
Cp,gas	475.04	J/mol×K	919.22	Calculated Property
Cp,gas	486.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0123884; 0.0000807]	Pa×s	[317.63; 552.61]	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			-1.62302e+01
Coefficient B			3.76048e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			317.63
Temperature range, max.			552.61
η	0.0123884	Pa×s	317.63	Calculated Property
η	0.0050405	Pa×s	343.74	Calculated Property
η	0.0023285	Pa×s	369.85	Calculated Property
η	0.0011910	Pa×s	395.96	Calculated Property
η	0.0006618	Pa×s	422.07	Calculated Property
η	0.0003939	Pa×s	448.17	Calculated Property
η	0.0002482	Pa×s	474.28	Calculated Property
η	0.0001641	Pa×s	500.39	Calculated Property
η	0.0001130	Pa×s	526.50	Calculated Property
η	0.0000807	Pa×s	552.61	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-methoxycarbonyl-pentanedioic acid dimethyl ester.

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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