Chemical Properties of Glutaric acid, dipentafluorobenzyl ester

InChI

InChI=1S/C19H10F10O4/c20-10-6(11(21)15(25)18(28)14(10)24)4-32-8(30)2-1-3-9(31)33-5-7-12(22)16(26)19(29)17(27)13(7)23/h1-5H2

InChI Key

QAUNIHZMXFZZBF-UHFFFAOYSA-N

Formula

C19H10F10O4

SMILES

O=C(CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

492.26

• 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°	68.70	kJ/mol	Joback Calculated Property
log10WS	-8.73		Relay (1.0) Calculated Property
logPoct/wat	5.035		Crippen Calculated Property
McVol	263.630	ml/mol	McGowan Calculated Property
Inp	[2234.00; 2234.00]
Inp	2234.00		NIST
Inp	2234.00		NIST
Tboil	623.48	K	Relay (1.0) Calculated Property
Tc	804.62	K	Relay (1.0) Calculated Property
Tfus	366.42	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.67; 825.21]	J/mol×K	[846.62; 1036.61]
Cp,gas	778.67	J/mol×K	846.62	Joback Calculated Property
Cp,gas	788.89	J/mol×K	878.28	Joback Calculated Property
Cp,gas	798.13	J/mol×K	909.95	Joback Calculated Property
Cp,gas	806.39	J/mol×K	941.61	Joback Calculated Property
Cp,gas	813.66	J/mol×K	973.28	Joback Calculated Property
Cp,gas	819.94	J/mol×K	1004.94	Joback Calculated Property
Cp,gas	825.21	J/mol×K	1036.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dipentafluorobenzyl 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.
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