Chemical Properties of Acetic acid, methoxy-, methyl ester (CAS 6290-49-9)

InChI

InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3

InChI Key

QRMHDGWGLNLHMN-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

COCC(=O)OC

Molecular Weight¹

104.10

CAS

6290-49-9

Other Names

• CBC 108569
• Methoxyacetic acid methyl ester
• Methoxymethyl acetate
• methoxyacetic acid, methyl ester
• methyl .alpha.-methoxyacetate
• methyl 2-methoxyacetate
• methyl methoxyacetate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Property	Value	Unit	Source
ω	0.4251		Relay (1.0) Calculated Property
ΔfH°gas	-541.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	47.20 ± 4.20	kJ/mol	NIST
IE	9.56 ± 0.05	eV	NIST
log10WS	0.57		Relay (1.0) Calculated Property
logPoct/wat	-0.194		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	3838.78	kPa	Joback Calculated Property
Tboil	[402.70; 404.20]	K
Tboil	402.70	K	NIST
Tboil	404.20	K	NIST
Tc	578.80	K	Relay (1.0) Calculated Property
Tfus	213.26	K	Relay (1.0) Calculated Property
Vc	0.301	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.74; 186.77]	J/mol×K	[371.76; 547.08]
Cp,gas	146.74	J/mol×K	371.76	Joback Calculated Property
Cp,gas	153.79	J/mol×K	400.98	Joback Calculated Property
Cp,gas	160.70	J/mol×K	430.20	Joback Calculated Property
Cp,gas	167.46	J/mol×K	459.42	Joback Calculated Property
Cp,gas	174.07	J/mol×K	488.64	Joback Calculated Property
Cp,gas	180.51	J/mol×K	517.86	Joback Calculated Property
Cp,gas	186.77	J/mol×K	547.08	Joback Calculated Property
η	[0.0002434; 0.0039537]	Pa×s	[199.40; 371.76]
η	0.0039537	Pa×s	199.40	Joback Calculated Property
η	0.0018543	Pa×s	228.13	Joback Calculated Property
η	0.0010302	Pa×s	256.85	Joback Calculated Property
η	0.0006442	Pa×s	285.58	Joback Calculated Property
η	0.0004389	Pa×s	314.31	Joback Calculated Property
η	0.0003189	Pa×s	343.03	Joback Calculated Property
η	0.0002434	Pa×s	371.76	Joback Calculated Property
ΔvapH	39.30	kJ/mol	297.50	NIST

Similar Compounds

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

Mixtures

• Acetic acid, methoxy-, methyl ester + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase Behavior for the CO2 + Methyl Methoxyacetate and CO2 + Methyl trans-3-Methoxyacrylate Systems at Pressures from (5 to 20) MPa and Various Temperatures
• Joback Method
• McGowan Method
• NIST Webbook

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