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

InChI

InChI=1S/C18H32O6/c1-3-5-6-7-8-11-23-16(19)9-10-17(20)24-14-18(4-2)12-21-15-22-13-18/h3-15H2,1-2H3

InChI Key

BCJGZIPWPIFULM-UHFFFAOYSA-N

Formula

C18H32O6

SMILES

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

Molecular Weight¹

344.44

• 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°	-520.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1098.89	kJ/mol	Joback Calculated Property
ΔfusH°	49.45	kJ/mol	Joback Calculated Property
ΔvapH°	82.27	kJ/mol	Joback Calculated Property
log10WS	-3.41		Crippen Calculated Property
logPoct/wat	3.224		Crippen Calculated Property
McVol	280.240	ml/mol	McGowan Calculated Property
Pc	1454.57	kPa	Joback Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST
Tboil	837.51	K	Joback Calculated Property
Tc	1038.55	K	Joback Calculated Property
Tfus	521.36	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[911.23; 1012.41]	J/mol×K	[837.51; 1038.55]
Cp,gas	911.23	J/mol×K	837.51	Joback Calculated Property
Cp,gas	929.65	J/mol×K	871.02	Joback Calculated Property
Cp,gas	947.34	J/mol×K	904.52	Joback Calculated Property
Cp,gas	964.38	J/mol×K	938.03	Joback Calculated Property
Cp,gas	980.85	J/mol×K	971.54	Joback Calculated Property
Cp,gas	996.83	J/mol×K	1005.04	Joback Calculated Property
Cp,gas	1012.41	J/mol×K	1038.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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