Chemical Properties of Acetic acid, dimethoxy-, methyl ester

InChI

InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3

InChI Key

NZTCVGHPDWAALP-UHFFFAOYSA-N

Formula

C5H10O4

SMILES

COC(=O)C(OC)OC

Molecular Weight¹

134.13

Other Names

• Glyoxylic acid, methyl ester, 2-(dimethyl acetal)
• Dimethoxyacetic acid methyl ester
• Glyoxylic acid methyl ester dimethyl acetal
• Methyl dimethoxyacetate
• Methyl glyoxylate,dimethyl acetal
• Methyl 2,2-dimethoxyacetate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.4437		Relay (1.0) Calculated Property
ΔfH°gas	-710.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.93	kJ/mol	Joback Calculated Property
ΔvapH°	52.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.222		Crippen Calculated Property
McVol	100.490	ml/mol	McGowan Calculated Property
Pc	3384.14	kPa	Joback Calculated Property
I	[1442.00; 1442.00]
I	1442.00		NIST
I	1442.00		NIST
Tboil	426.94	K	Relay (1.0) Calculated Property
Tc	601.36	K	Relay (1.0) Calculated Property
Tfus	256.34	K	Relay (1.0) Calculated Property
Vc	0.378	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.38; 322.93]	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			7.30700e+01
Coefficient B			3.03560e-01
Coefficient C			6.52000e-05
Coefficient D			-1.18900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.38	J/mol×K	273.00	Calculated Property
Cp,gas	183.36	J/mol×K	353.78	Calculated Property
Cp,gas	207.54	J/mol×K	434.56	Calculated Property
Cp,gas	230.55	J/mol×K	515.33	Calculated Property
Cp,gas	252.01	J/mol×K	596.11	Calculated Property
Cp,gas	271.54	J/mol×K	676.89	Calculated Property
Cp,gas	288.78	J/mol×K	757.67	Calculated Property
Cp,gas	303.34	J/mol×K	838.44	Calculated Property
Cp,gas	314.85	J/mol×K	919.22	Calculated Property
Cp,gas	322.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047807; 0.0001985]	Pa×s	[217.90; 416.75]	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			-1.20112e+01
Coefficient B			1.45296e+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.			217.90
Temperature range, max.			416.75
η	0.0047807	Pa×s	217.90	Calculated Property
η	0.0025875	Pa×s	239.99	Calculated Property
η	0.0015532	Pa×s	262.09	Calculated Property
η	0.0010093	Pa×s	284.18	Calculated Property
η	0.0006980	Pa×s	306.28	Calculated Property
η	0.0005073	Pa×s	328.37	Calculated Property
η	0.0003838	Pa×s	350.47	Calculated Property
η	0.0003001	Pa×s	372.56	Calculated Property
η	0.0002413	Pa×s	394.66	Calculated Property
η	0.0001985	Pa×s	416.75	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, dimethoxy-, methyl ester.

Sources

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

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