Chemical Properties of Ethylene oxalate (CAS 3524-70-7)

InChI

InChI=1S/C4H4O4/c5-3-4(6)8-2-1-7-3/h1-2H2

InChI Key

ZNLAHAOCFKBYRH-UHFFFAOYSA-N

Formula

C4H4O4

SMILES

O=C1OCCOC1=O

Molecular Weight¹

116.07

CAS

3524-70-7

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-1448.50 ± 1.20	kJ/mol	NIST
ΔfH°gas	-594.81	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-697.00 ± 1.20	kJ/mol	NIST
ΔfusH°	14.02	kJ/mol	Joback Calculated Property
ΔvapH°	62.62	kJ/mol	Relay (1.0) Calculated Property
IE	10.51	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.914		Crippen Calculated Property
McVol	71.240	ml/mol	McGowan Calculated Property
S°solid,1 bar	[149.70; 158.40]	J/mol×K
S°solid,1 bar	158.40	J/mol×K	NIST
S°solid,1 bar	149.70	J/mol×K	NIST
Tboil	486.12	K	Relay (1.0) Calculated Property
Tfus	398.74	K	Relay (1.0) Calculated Property
Ttriple	[415.00; 415.00]	K
Ttriple	415.00 ± 1.00	K	NIST
Ttriple	415.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[141.90; 141.90]	J/mol×K	[298.15; 298.15]
Cp,solid	141.90	J/mol×K	298.15	NIST
Cp,solid	141.90	J/mol×K	298.15	NIST
ΔfusH	[13.40; 13.40]	kJ/mol	[415.00; 415.00]
ΔfusH	13.40	kJ/mol	415.00	NIST
ΔfusH	13.40	kJ/mol	415.00	NIST
ΔfusS	32.29	J/mol×K	415.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.20; 213.21]	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			-9.90000e-01
Coefficient B			4.61200e-01
Coefficient C			-3.26600e-04
Coefficient D			7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.20	J/mol×K	273.00	Calculated Property
Cp,gas	124.82	J/mol×K	353.78	Calculated Property
Cp,gas	144.28	J/mol×K	434.56	Calculated Property
Cp,gas	160.84	J/mol×K	515.33	Calculated Property
Cp,gas	174.74	J/mol×K	596.11	Calculated Property
Cp,gas	186.24	J/mol×K	676.89	Calculated Property
Cp,gas	195.58	J/mol×K	757.67	Calculated Property
Cp,gas	203.02	J/mol×K	838.44	Calculated Property
Cp,gas	208.81	J/mol×K	919.22	Calculated Property
Cp,gas	213.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025834; 0.0004715]	Pa×s	[245.20; 425.25]	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			-9.97579e+00
Coefficient B			9.85000e+02
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.			245.20
Temperature range, max.			425.25
η	0.0025834	Pa×s	245.20	Calculated Property
η	0.0019080	Pa×s	265.21	Calculated Property
η	0.0014704	Pa×s	285.21	Calculated Property
η	0.0011725	Pa×s	305.22	Calculated Property
η	0.0009614	Pa×s	325.22	Calculated Property
η	0.0008067	Pa×s	345.23	Calculated Property
η	0.0006899	Pa×s	365.23	Calculated Property
η	0.0005998	Pa×s	385.24	Calculated Property
η	0.0005287	Pa×s	405.25	Calculated Property
η	0.0004715	Pa×s	425.25	Calculated Property

Similar Compounds

Find more compounds similar to Ethylene oxalate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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