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

InChI

InChI=1S/C19H32O8/c1-3-18(8-22-14-23-9-18)12-26-16(20)6-5-7-17(21)27-13-19(4-2)10-24-15-25-11-19/h3-15H2,1-2H3

InChI Key

FXTONUMDXWNAEJ-UHFFFAOYSA-N

Formula

C19H32O8

SMILES

CCC1(COC(=O)CCCC(=O)OCC2(CC)COCOC2)COCOC1

Molecular Weight¹

388.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	56.69	kJ/mol	Joback Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	295.210	ml/mol	McGowan Calculated Property
Inp	[3153.00; 3153.00]
Inp	3153.00		NIST
Inp	3153.00		NIST
Tboil	676.52	K	Relay (1.0) Calculated Property
Tc	871.59	K	Relay (1.0) Calculated Property
Tfus	333.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[426.57; 1078.67]	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			-1.25473e+02
Coefficient B			2.51524e+00
Coefficient C			-1.99220e-03
Coefficient D			6.81100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.57	J/mol×K	273.00	Calculated Property
Cp,gas	545.18	J/mol×K	353.78	Calculated Property
Cp,gas	647.23	J/mol×K	434.56	Calculated Property
Cp,gas	734.86	J/mol×K	515.33	Calculated Property
Cp,gas	810.24	J/mol×K	596.11	Calculated Property
Cp,gas	875.52	J/mol×K	676.89	Calculated Property
Cp,gas	932.84	J/mol×K	757.67	Calculated Property
Cp,gas	984.37	J/mol×K	838.44	Calculated Property
Cp,gas	1032.26	J/mol×K	919.22	Calculated Property
Cp,gas	1078.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di((5-ethyl-1,3-dioxan-5-yl)methyl) 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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