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

InChI

InChI=1S/C15H26O6/c1-3-5-8-20-13(16)6-7-14(17)21-11-15(4-2)9-18-12-19-10-15/h3-12H2,1-2H3

InChI Key

LBMOYNWVGASVGG-UHFFFAOYSA-N

Formula

C15H26O6

SMILES

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

Molecular Weight¹

302.36

• 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).
• 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
ΔfG°	-545.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1036.97	kJ/mol	Joback Calculated Property
ΔfusH°	41.67	kJ/mol	Joback Calculated Property
ΔvapH°	75.59	kJ/mol	Joback Calculated Property
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	2.054		Crippen Calculated Property
McVol	237.970	ml/mol	McGowan Calculated Property
Pc	1835.69	kPa	Joback Calculated Property
Inp	[2083.00; 2083.00]
Inp	2083.00		NIST
Inp	2083.00		NIST
Tboil	768.87	K	Joback Calculated Property
Tc	971.22	K	Joback Calculated Property
Tfus	487.55	K	Joback Calculated Property
Vc	0.896	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.71; 827.86]	J/mol×K	[768.87; 971.22]
Cp,gas	734.71	J/mol×K	768.87	Joback Calculated Property
Cp,gas	751.82	J/mol×K	802.60	Joback Calculated Property
Cp,gas	768.20	J/mol×K	836.32	Joback Calculated Property
Cp,gas	783.92	J/mol×K	870.05	Joback Calculated Property
Cp,gas	799.05	J/mol×K	903.77	Joback Calculated Property
Cp,gas	813.67	J/mol×K	937.50	Joback Calculated Property
Cp,gas	827.86	J/mol×K	971.22	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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