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

InChI

InChI=1S/C20H36O6/c1-3-5-6-7-8-9-10-13-25-18(21)11-12-19(22)26-16-20(4-2)14-23-17-24-15-20/h3-17H2,1-2H3

InChI Key

AGUYTFOHZDCLFN-UHFFFAOYSA-N

Formula

C20H36O6

SMILES

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

Molecular Weight¹

372.50

• 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°	-503.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-1140.17	kJ/mol	Joback Calculated Property
ΔfusH°	54.62	kJ/mol	Joback Calculated Property
ΔvapH°	86.72	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	4.004		Crippen Calculated Property
McVol	308.420	ml/mol	McGowan Calculated Property
Pc	1262.85	kPa	Joback Calculated Property
Inp	[2586.00; 2586.00]
Inp	2586.00		NIST
Inp	2586.00		NIST
Tboil	883.27	K	Joback Calculated Property
Tc	1086.84	K	Joback Calculated Property
Tfus	543.90	K	Joback Calculated Property
Vc	1.177	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.72; 1141.03]	J/mol×K	[883.27; 1086.84]
Cp,gas	1033.72	J/mol×K	883.27	Joback Calculated Property
Cp,gas	1053.14	J/mol×K	917.20	Joback Calculated Property
Cp,gas	1071.83	J/mol×K	951.13	Joback Calculated Property
Cp,gas	1089.87	J/mol×K	985.05	Joback Calculated Property
Cp,gas	1107.35	J/mol×K	1018.98	Joback Calculated Property
Cp,gas	1124.38	J/mol×K	1052.91	Joback Calculated Property
Cp,gas	1141.03	J/mol×K	1086.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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