Chemical Properties of Methyl 3,3-dimethoxypropionate (CAS 7424-91-1)

InChI

InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3

InChI Key

SMCVPMKCDDNUCQ-UHFFFAOYSA-N

Formula

C6H12O4

SMILES

COC(=O)CC(OC)OC

Molecular Weight¹

148.16

CAS

7424-91-1

Other Names

• Propanoic acid, 3,3-dimethoxy-, methyl ester

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.60; 374.52]	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			7.21610e+01
Coefficient B			3.98560e-01
Coefficient C			1.08000e-05
Coefficient D			-1.07000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.60	J/mol×K	273.00	Calculated Property
Cp,gas	209.78	J/mol×K	353.78	Calculated Property
Cp,gas	238.62	J/mol×K	434.56	Calculated Property
Cp,gas	265.78	J/mol×K	515.33	Calculated Property
Cp,gas	290.92	J/mol×K	596.11	Calculated Property
Cp,gas	313.71	J/mol×K	676.89	Calculated Property
Cp,gas	333.80	J/mol×K	757.67	Calculated Property
Cp,gas	350.86	J/mol×K	838.44	Calculated Property
Cp,gas	364.54	J/mol×K	919.22	Calculated Property
Cp,gas	374.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047021; 0.0001978]	Pa×s	[229.17; 431.88]	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			-1.21107e+01
Coefficient B			1.54712e+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.			229.17
Temperature range, max.			431.88
η	0.0047021	Pa×s	229.17	Calculated Property
η	0.0025699	Pa×s	251.69	Calculated Property
η	0.0015511	Pa×s	274.22	Calculated Property
η	0.0010108	Pa×s	296.74	Calculated Property
η	0.0006997	Pa×s	319.26	Calculated Property
η	0.0005084	Pa×s	341.79	Calculated Property
η	0.0003843	Pa×s	364.31	Calculated Property
η	0.0003001	Pa×s	386.83	Calculated Property
η	0.0002408	Pa×s	409.36	Calculated Property
η	0.0001978	Pa×s	431.88	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3,3-dimethoxypropionate.

Sources

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

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