Chemical Properties of 1,3-DIOXOLANE-2-ACETIC ACID, 2-METHYL-, ETHYL ESTER

InChI

InChI=1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3

InChI Key

XWEOGMYZFCHQNT-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CCOC(=O)CC1(C)OCCO1

Molecular Weight¹

174.20

Other Names

• 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester
• Ethyl acetoacetate ethylene ketal
• Ethyl acetoacetate 3-ethylene acetal
• Ethyl 2-methyl-1,3-dioxolane-2-acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-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	0.4789		Relay (1.0) Calculated Property
ΔfG°	-358.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-790.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔvapH°	60.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-0.66		Relay (1.0) Calculated Property
logPoct/wat	0.703		Crippen Calculated Property
McVol	131.900	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[1123.10; 1123.10]
Inp	1123.10		NIST
Inp	1123.10		NIST
Tboil	461.29	K	Relay (1.0) Calculated Property
Tc	658.96	K	Relay (1.0) Calculated Property
Tfus	235.46	K	Relay (1.0) Calculated Property
Vc	0.509	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.66; 396.23]	J/mol×K	[528.15; 737.90]
Cp,gas	323.66	J/mol×K	528.15	Joback Calculated Property
Cp,gas	337.53	J/mol×K	563.11	Joback Calculated Property
Cp,gas	350.58	J/mol×K	598.07	Joback Calculated Property
Cp,gas	362.89	J/mol×K	633.03	Joback Calculated Property
Cp,gas	374.54	J/mol×K	667.98	Joback Calculated Property
Cp,gas	385.62	J/mol×K	702.94	Joback Calculated Property
Cp,gas	396.23	J/mol×K	737.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-DIOXOLANE-2-ACETIC ACID, 2-METHYL-, ETHYL ESTER.

Sources

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

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