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

InChI

InChI=1S/C17H30O6/c1-3-5-6-7-10-22-15(18)8-9-16(19)23-13-17(4-2)11-20-14-21-12-17/h3-14H2,1-2H3

InChI Key

ATFYRJWCGHHSCF-UHFFFAOYSA-N

Formula

C17H30O6

SMILES

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

Molecular Weight¹

330.42

• 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°	-528.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.25	kJ/mol	Joback Calculated Property
ΔfusH°	46.85	kJ/mol	Joback Calculated Property
ΔvapH°	80.05	kJ/mol	Joback Calculated Property
log10WS	-2.99		Crippen Calculated Property
logPoct/wat	2.834		Crippen Calculated Property
McVol	266.150	ml/mol	McGowan Calculated Property
Pc	1567.23	kPa	Joback Calculated Property
Inp	[2285.00; 2285.00]
Inp	2285.00		NIST
Inp	2285.00		NIST
Tboil	814.63	K	Joback Calculated Property
Tc	1015.48	K	Joback Calculated Property
Tfus	510.09	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[851.37; 949.79]	J/mol×K	[814.63; 1015.48]
Cp,gas	851.37	J/mol×K	814.63	Joback Calculated Property
Cp,gas	869.35	J/mol×K	848.10	Joback Calculated Property
Cp,gas	886.59	J/mol×K	881.58	Joback Calculated Property
Cp,gas	903.17	J/mol×K	915.05	Joback Calculated Property
Cp,gas	919.18	J/mol×K	948.53	Joback Calculated Property
Cp,gas	934.70	J/mol×K	982.00	Joback Calculated Property
Cp,gas	949.79	J/mol×K	1015.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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