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

InChI

InChI=1S/C24H44O6/c1-3-5-6-7-8-9-10-11-12-13-14-17-29-22(25)15-16-23(26)30-20-24(4-2)18-27-21-28-19-24/h3-21H2,1-2H3

InChI Key

IMGFDOWUYLSNSQ-UHFFFAOYSA-N

Formula

C24H44O6

SMILES

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

Molecular Weight¹

428.60

• 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°	-469.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1222.73	kJ/mol	Joback Calculated Property
ΔfusH°	64.98	kJ/mol	Joback Calculated Property
ΔvapH°	95.63	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	5.565		Crippen Calculated Property
McVol	364.780	ml/mol	McGowan Calculated Property
Pc	977.78	kPa	Joback Calculated Property
Inp	[2981.00; 2981.00]
Inp	2981.00		NIST
Inp	2981.00		NIST
Tboil	974.79	K	Joback Calculated Property
Tc	1193.61	K	Joback Calculated Property
Tfus	588.98	K	Joback Calculated Property
Vc	1.401	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1288.58; 1412.92]	J/mol×K	[974.79; 1193.61]
Cp,gas	1288.58	J/mol×K	974.79	Joback Calculated Property
Cp,gas	1310.76	J/mol×K	1011.26	Joback Calculated Property
Cp,gas	1332.19	J/mol×K	1047.73	Joback Calculated Property
Cp,gas	1352.99	J/mol×K	1084.20	Joback Calculated Property
Cp,gas	1373.29	J/mol×K	1120.67	Joback Calculated Property
Cp,gas	1393.23	J/mol×K	1157.14	Joback Calculated Property
Cp,gas	1412.92	J/mol×K	1193.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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