Chemical Properties of ETHYL METHYL CARBONATE

InChI

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

InChI Key

JBTWLSYIZRCDFO-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

CCOC(=O)OC

Molecular Weight¹

104.10

Other Names

• C2H5OCOOCH3
• Ethoxyacetic acid, methyl ester
• Methyl Ethyl Carbonate

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3702		ChemSep v8.3 pure component data Compiled value
PAff	842.70	kJ/mol	NIST
BasG	810.80	kJ/mol	NIST
ΔfG°	-457.62	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-602.25	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	43.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	-0.40		Relay (1.0) Calculated Property
logPoct/wat	0.789		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	3828.65	kPa	ChemSep v8.3 pure component data Compiled value
Tboil	380.15	K	ChemSep v8.3 pure component data Compiled value
Tc	566.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[218.14; 258.65]	K
Tfus	218.14	K	Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
Tfus	258.65	K	ChemSep v8.3 pure component data Compiled value
UQi	3.63		ChemSep v8.3 pure component data Compiled value
URi	4.06		ChemSep v8.3 pure component data Compiled value
Vc	0.301	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2453100		ChemSep v8.3 pure component data Compiled value
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	11.24	kJ/mol	219.40	NIST
Pvap	[0.96; 18.28]	kPa	[277.96; 333.15]
Pvap	0.96	kPa	277.96	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	1.28	kPa	282.06	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	1.52	kPa	283.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	2.01	kPa	288.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	2.44	kPa	293.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	3.66	kPa	298.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	4.53	kPa	303.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	5.80	kPa	308.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	6.74	kPa	310.74	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	7.88	kPa	314.83	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	12.28	kPa	323.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	15.26	kPa	328.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	18.28	kPa	333.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
ρl	[1006.88; 1010.00]	kg/m3	[298.15; 298.15]
ρl	1006.88	kg/m3	298.15	Solid-liquid equilibria and thermo-physical properties of liquid electrolyte systems for lithium ion batteries
ρl	1010.00	kg/m3	298.15	Low pressure carbon dioxide solubility in lithium-ion batteries based electrolytes as a function of temperature. Measurement and prediction

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.92; 288.16]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.51518e+01
Coefficient B			-5.00000e+02
Coefficient C			5.78439e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	100.92	J/mol×K	255.00	Calculated Property
Cp,gas	146.37	J/mol×K	393.33	Calculated Property
Cp,gas	182.12	J/mol×K	531.67	Calculated Property
Cp,gas	209.33	J/mol×K	670.00	Calculated Property
Cp,gas	230.34	J/mol×K	808.33	Calculated Property
Cp,gas	246.91	J/mol×K	946.67	Calculated Property
Cp,gas	260.27	J/mol×K	1085.00	Calculated Property
Cp,gas	271.24	J/mol×K	1223.33	Calculated Property
Cp,gas	280.40	J/mol×K	1361.67	Calculated Property
Cp,gas	288.16	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014787; 0.0001995]	Pa×s	[238.39; 396.20]	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			-1.15456e+01
Coefficient B			1.19889e+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.			238.39
Temperature range, max.			396.20
η	0.0014787	Pa×s	238.39	Calculated Property
η	0.0010477	Pa×s	255.93	Calculated Property
η	0.0007759	Pa×s	273.46	Calculated Property
η	0.0005958	Pa×s	291.00	Calculated Property
η	0.0004714	Pa×s	308.53	Calculated Property
η	0.0003825	Pa×s	326.06	Calculated Property
η	0.0003171	Pa×s	343.60	Calculated Property
η	0.0002677	Pa×s	361.13	Calculated Property
η	0.0002295	Pa×s	378.67	Calculated Property
η	0.0001995	Pa×s	396.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.06; 1.85]	kJ/mol	[269.98; 565.93]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.63590e+01
Coefficient B			3.80000e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			5.66000e+02
Temperature range, min.			269.98
Temperature range, max.			565.93
ΔvapH	44.06	kJ/mol	269.98	Calculated Property
ΔvapH	42.13	kJ/mol	302.86	Calculated Property
ΔvapH	40.04	kJ/mol	335.74	Calculated Property
ΔvapH	37.77	kJ/mol	368.63	Calculated Property
ΔvapH	35.24	kJ/mol	401.51	Calculated Property
ΔvapH	32.38	kJ/mol	434.39	Calculated Property
ΔvapH	29.02	kJ/mol	467.28	Calculated Property
ΔvapH	24.88	kJ/mol	500.16	Calculated Property
ΔvapH	19.13	kJ/mol	533.05	Calculated Property
ΔvapH	1.85	kJ/mol	565.93	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.74; 3903.55]	kPa	[273.00; 565.93]	ChemSep v8.3 pure component data Compiled value
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48075e+01
Coefficient B			-3.37660e+03
Coefficient C			-4.94610e+01
Temperature range, min.			273.00
Temperature range, max.			565.93
Pvap	0.74	kPa	273.00	Calculated Property
Pvap	5.06	kPa	305.55	Calculated Property
Pvap	22.40	kPa	338.10	Calculated Property
Pvap	73.29	kPa	370.64	Calculated Property
Pvap	192.83	kPa	403.19	Calculated Property
Pvap	431.01	kPa	435.74	Calculated Property
Pvap	850.17	kPa	468.29	Calculated Property
Pvap	1520.47	kPa	500.84	Calculated Property
Pvap	2514.72	kPa	533.38	Calculated Property
Pvap	3903.55	kPa	565.93	Calculated Property

Similar Compounds

Find more compounds similar to ETHYL METHYL CARBONATE.

Mixtures

• 1,3,2-Dioxathiolane, 2-oxide + ETHYL METHYL CARBONATE
• Carbon dioxide + ETHYL METHYL CARBONATE
• 1,3-Dioxolan-2-one + ETHYL METHYL CARBONATE
• Carbon dioxide + 1,3-Dioxolan-2-one + ETHYL METHYL CARBONATE
• Methane + ETHYL METHYL CARBONATE
• Methyl Alcohol + Water + ETHYL METHYL CARBONATE
• Ethanol + Water + ETHYL METHYL CARBONATE
• Methyl Alcohol + ETHYL METHYL CARBONATE
• Ethanol + ETHYL METHYL CARBONATE
• Carbonic acid, dimethyl ester + ETHYL METHYL CARBONATE
• Diethyl carbonate + ETHYL METHYL CARBONATE
• Heptane + Water + ETHYL METHYL CARBONATE
• Water + ETHYL METHYL CARBONATE

Sources

• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Solid-liquid equilibria and thermo-physical properties of liquid electrolyte systems for lithium ion batteries
• Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
• Low pressure carbon dioxide solubility in pure electrolyte solvents for lithium-ion batteries as a function of temperature. Measurement and prediction
• Low pressure carbon dioxide solubility in lithium-ion batteries based electrolytes as a function of temperature. Measurement and prediction
• Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
• Measurement and Correlation of Liquid Liquid Equilibrium for Quaternary Systems of Water + Methanol or Ethanol + Ethyl Methyl Carbonate + Heptane at 25 deg C
• Liquid-Liquid Equilibria for Ternary Systems of (Ethyl Methyl Carbonate + Methanol or Ethanol + Water) at 293.15, 303.15, and 308.15 K
• Experimental Isobaric Vapor-Liquid Equilibrium for Binary Systems of Ethyl Methyl Carbonate + Methanol, + Ethanol, + Dimethyl Carbonate, or + Diethyl Carbonate at 101.3 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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