Chemical Properties of Ethanedioic acid, dimethyl ester (CAS 553-90-2)

InChI

InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

InChI Key

LOMVENUNSWAXEN-UHFFFAOYSA-N

Formula

C4H6O4

SMILES

COC(=O)C(=O)OC

Molecular Weight¹

118.09

CAS

553-90-2

Other Names

• CH3OCOCOOCH3
• DIMETHYL ESTER OXALIC ACID
• DIMETHYL OXALATE
• Dimethyl ester of oxalic acid
• Ethanedioc acid dimethyl ester
• METHYL OXALATE
• Oxalic acid, dimethyl ester
• dimethyl ethanedioate

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	0.5560		KDB
ΔcH°solid	[-1677.00; -1675.20]	kJ/mol
ΔcH°solid	-1675.20 ± 0.63	kJ/mol	NIST
ΔcH°solid	-1677.00	kJ/mol	NIST
ΔfG°	-485.04	kJ/mol	Joback Calculated Property
ΔfH°gas	[-709.70; -709.27]	kJ/mol
ΔfH°gas	-709.27 ± 0.54	kJ/mol	NIST
ΔfH°gas	-709.70	kJ/mol	NIST
ΔfH°solid	[-756.73; -756.30]	kJ/mol
ΔfH°solid	-756.30 ± 0.84	kJ/mol	NIST
ΔfH°solid	-756.73 ± 0.31	kJ/mol	NIST
ΔfusH°	11.69	kJ/mol	Joback Calculated Property
ΔsubH°	[47.00; 75.30]	kJ/mol
ΔsubH°	75.20 ± 0.50	kJ/mol	NIST
ΔsubH°	74.60 ± 0.70	kJ/mol	NIST
ΔsubH°	75.30 ± 1.60	kJ/mol	NIST
ΔsubH°	47.00	kJ/mol	NIST
ΔvapH°	[52.50; 54.70]	kJ/mol
ΔvapH°	54.70 ± 0.30	kJ/mol	NIST
ΔvapH°	52.50	kJ/mol	NIST
IE	[10.00; 10.30]	eV
IE	10.00	eV	NIST
IE	10.30	eV	NIST
log10WS	0.78		Crippen Calculated Property
logPoct/wat	-0.668		Crippen Calculated Property
McVol	82.100	ml/mol	McGowan Calculated Property
Pc	[3980.00; 9610.00]	kPa
Pc	3980.00	kPa	KDB
Pc	4060.00	kPa	Vapor P...
Pc	3980.00 ± 405.30	kPa	NIST
Pc	9610.00 ± 2026.50	kPa	NIST
Inp	[800.00; 837.00]
Inp	824.00		NIST
Inp	819.00		NIST
Inp	817.00		NIST
Inp	826.00		NIST
Inp	837.00		NIST
Inp	800.00		NIST
Inp	800.00		NIST
Inp	826.00		NIST
Inp	800.00		NIST
Inp	800.00		NIST
Inp	824.00		NIST
I	[1382.00; 1409.00]
I	1382.00		NIST
I	1389.00		NIST
I	1409.00		NIST
I	1382.00		NIST
I	1395.00		NIST
I	1409.00		NIST
I	1395.00		NIST
I	1382.00		NIST
Tboil	[436.50; 437.70]	K
Tboil	436.50	K	KDB
Tboil	436.65	K	Determi...
Tboil	437.70	K	NIST
Tboil	437.40 ± 0.50	K	NIST
Tboil	437.40 ± 0.50	K	NIST
Tc	[533.00; 628.00]	K
Tc	628.00	K	KDB
Tc	628.00 ± 8.00	K	NIST
Tc	533.00 ± 40.00	K	NIST
Tc	533.00 ± 40.00	K	NIST
Tfus	[322.65; 327.95]	K
Tfus	327.00	K	KDB
Tfus	327.95 ± 0.25	K	NIST
Tfus	322.65 ± 0.60	K	NIST
Vc	0.307	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.25; 196.03]	J/mol×K	[443.50; 635.40]
T(K) Ideal gas heat capacity (J/mol×K) 160 165 170 175 180 185 190 195 450 500 550 600
Cp,gas	159.25	J/mol×K	443.50	Joback Calculated Property
Cp,gas	165.77	J/mol×K	475.48	Joback Calculated Property
Cp,gas	172.16	J/mol×K	507.47	Joback Calculated Property
Cp,gas	178.40	J/mol×K	539.45	Joback Calculated Property
Cp,gas	184.47	J/mol×K	571.43	Joback Calculated Property
Cp,gas	190.35	J/mol×K	603.41	Joback Calculated Property
Cp,gas	196.03	J/mol×K	635.40	Joback Calculated Property
η	[0.0002944; 0.0019482]	Pa×s	[279.16; 443.50]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 300 350 400
η	0.0019482	Pa×s	279.16	Joback Calculated Property
η	0.0012352	Pa×s	306.55	Joback Calculated Property
η	0.0008440	Pa×s	333.94	Joback Calculated Property
η	0.0006109	Pa×s	361.33	Joback Calculated Property
η	0.0004628	Pa×s	388.72	Joback Calculated Property
η	0.0003637	Pa×s	416.11	Joback Calculated Property
η	0.0002944	Pa×s	443.50	Joback Calculated Property
ΔfusH	[21.07; 21.07]	kJ/mol	[327.60; 327.60]
ΔfusH	21.07	kJ/mol	327.60	NIST
ΔfusH	21.07	kJ/mol	327.60	NIST
ΔsubH	[47.40; 75.60]	kJ/mol	[283.00; 289.21]
ΔsubH	75.60 ± 1.60	kJ/mol	283.00	NIST
ΔsubH	47.40 ± 0.46	kJ/mol	289.21	NIST
ΔvapH	[44.70; 48.80]	kJ/mol	[365.00; 416.00]
ΔvapH	48.80	kJ/mol	365.00	NIST
ΔvapH	44.70	kJ/mol	416.00	NIST
Pvap	101.33	kPa	436.65	Determi...
ρl	1150.00	kg/m3	288.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.65]	kPa	[323.65; 462.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.71121e+01
Coefficient B			-5.28130e+03
Coefficient C			-1.49840e+01
Temperature range, min.			323.65
Temperature range, max.			462.53
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450
Pvap	1.00	kPa	323.65	Calculated Property
Pvap	2.26	kPa	339.08	Calculated Property
Pvap	4.75	kPa	354.51	Calculated Property
Pvap	9.33	kPa	369.94	Calculated Property
Pvap	17.35	kPa	385.37	Calculated Property
Pvap	30.68	kPa	400.81	Calculated Property
Pvap	51.94	kPa	416.24	Calculated Property
Pvap	84.56	kPa	431.67	Calculated Property
Pvap	132.96	kPa	447.10	Calculated Property
Pvap	202.65	kPa	462.53	Calculated Property
Pvap	[0.15; 99.94]	kPa	[293.15; 436.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.59206e+01
Coefficient B			-6.60112e+03
Coefficient C			-2.71833e+00
Coefficient D			1.79251e-06
Temperature range, min.			293.15
Temperature range, max.			436.15
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 300 350 400
Pvap	0.15	kPa	293.15	Calculated Property
Pvap	0.43	kPa	309.04	Calculated Property
Pvap	1.08	kPa	324.93	Calculated Property
Pvap	2.48	kPa	340.82	Calculated Property
Pvap	5.30	kPa	356.71	Calculated Property
Pvap	10.58	kPa	372.59	Calculated Property
Pvap	19.92	kPa	388.48	Calculated Property
Pvap	35.62	kPa	404.37	Calculated Property
Pvap	60.88	kPa	420.26	Calculated Property
Pvap	99.94	kPa	436.15	Calculated Property

Similar Compounds

Find more compounds similar to Ethanedioic acid, dimethyl ester.

Mixtures

• Ethanedioic acid, dimethyl ester + Methyl Alcohol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Determination of Ternary Vapor-Liquid Equilibrium of Dimethyl Oxalate-Methanol-1,2-Butanediol under Atmosphere Pressure
• Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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