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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1367.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.15	kJ/mol	Joback Calculated Property
ΔvapH°	122.66	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.565		Crippen Calculated Property
McVol	364.780	ml/mol	McGowan Calculated Property
Inp	[2981.00; 2981.00]
Inp	2981.00		NIST
Inp	2981.00		NIST
Tboil	675.64	K	Relay (1.0) Calculated Property
Tc	861.58	K	Relay (1.0) Calculated Property
Tfus	299.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.96; 1305.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.90640e+01
Coefficient B			2.58224e+00
Coefficient C			-1.67840e-03
Coefficient D			4.50400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.96	J/mol×K	273.00	Calculated Property
Cp,gas	674.35	J/mol×K	353.78	Calculated Property
Cp,gas	793.08	J/mol×K	434.56	Calculated Property
Cp,gas	897.56	J/mol×K	515.33	Calculated Property
Cp,gas	989.23	J/mol×K	596.11	Calculated Property
Cp,gas	1069.50	J/mol×K	676.89	Calculated Property
Cp,gas	1139.81	J/mol×K	757.67	Calculated Property
Cp,gas	1201.58	J/mol×K	838.44	Calculated Property
Cp,gas	1256.22	J/mol×K	919.22	Calculated Property
Cp,gas	1305.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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