Chemical Properties of Diethyl bis(hydroxymethyl)malonate (CAS 20605-01-0)

InChI

InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3

InChI Key

WIOHBOKEUIHYIC-UHFFFAOYSA-N

Formula

C9H16O6

SMILES

CCOC(=O)C(CO)(CO)C(=O)OCC

Molecular Weight¹

220.22

CAS

20605-01-0

Other Names

• Propanedioic acid, bis(hydroxymethyl)-, diethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.62; 538.67]	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			3.16340e+01
Coefficient B			9.43040e-01
Coefficient C			-5.09200e-04
Coefficient D			7.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.62	J/mol×K	273.00	Calculated Property
Cp,gas	304.77	J/mol×K	353.78	Calculated Property
Cp,gas	351.29	J/mol×K	434.56	Calculated Property
Cp,gas	392.40	J/mol×K	515.33	Calculated Property
Cp,gas	428.35	J/mol×K	596.11	Calculated Property
Cp,gas	459.36	J/mol×K	676.89	Calculated Property
Cp,gas	485.67	J/mol×K	757.67	Calculated Property
Cp,gas	507.50	J/mol×K	838.44	Calculated Property
Cp,gas	525.09	J/mol×K	919.22	Calculated Property
Cp,gas	538.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032321; 0.0000238]	Pa×s	[399.91; 614.80]	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			-1.97804e+01
Coefficient B			5.61704e+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.			399.91
Temperature range, max.			614.80
η	0.0032321	Pa×s	399.91	Calculated Property
η	0.0014649	Pa×s	423.79	Calculated Property
η	0.0007224	Pa×s	447.66	Calculated Property
η	0.0003827	Pa×s	471.54	Calculated Property
η	0.0002155	Pa×s	495.42	Calculated Property
η	0.0001280	Pa×s	519.29	Calculated Property
η	0.0000795	Pa×s	543.17	Calculated Property
η	0.0000515	Pa×s	567.05	Calculated Property
η	0.0000345	Pa×s	590.92	Calculated Property
η	0.0000238	Pa×s	614.80	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl bis(hydroxymethyl)malonate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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