Chemical Properties of Succinic acid, ethyl (5-ethyl-1,3-dioxan-5-yl)methyl ester

InChI

InChI=1S/C13H22O6/c1-3-13(7-16-10-17-8-13)9-19-12(15)6-5-11(14)18-4-2/h3-10H2,1-2H3

InChI Key

DXLIEZBBXFWGII-UHFFFAOYSA-N

Formula

C13H22O6

SMILES

CCOC(=O)CCC(=O)OCC1(CC)COCOC1

Molecular Weight¹

274.31

• 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	0.7073		Relay (... Calculated Property
ΔfG°	-562.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1152.78	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.49	kJ/mol	Joback Calculated Property
ΔvapH°	83.76	kJ/mol	Relay (... Calculated Property
IE	9.88	eV	Relay (... Calculated Property
log10WS	-1.55		Relay (... Calculated Property
logPoct/wat	1.274		Crippen Calculated Property
McVol	209.790	ml/mol	McGowan Calculated Property
Pc	2179.52	kPa	Joback Calculated Property
Inp	[1880.00; 1880.00]
Inp	1880.00		NIST
Inp	1880.00		NIST
Tboil	588.62	K	Relay (... Calculated Property
Tc	763.55	K	Relay (... Calculated Property
Tfus	294.47	K	Relay (... Calculated Property
Vc	0.767	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.48; 710.22]	J/mol×K	[723.11; 929.17]
Cp,gas	622.48	J/mol×K	723.11	Joback Calculated Property
Cp,gas	638.71	J/mol×K	757.45	Joback Calculated Property
Cp,gas	654.20	J/mol×K	791.80	Joback Calculated Property
Cp,gas	669.02	J/mol×K	826.14	Joback Calculated Property
Cp,gas	683.25	J/mol×K	860.48	Joback Calculated Property
Cp,gas	696.96	J/mol×K	894.83	Joback Calculated Property
Cp,gas	710.22	J/mol×K	929.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl (5-ethyl-1,3-dioxan-5-yl)methyl ester.

Sources

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

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