Chemical Properties of Diglycolic acid, octyl pentafluorobenzyl ester

InChI

InChI=1S/C19H23F5O5/c1-2-3-4-5-6-7-8-28-13(25)10-27-11-14(26)29-9-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3

InChI Key

ILYMSZYQYQCWDL-UHFFFAOYSA-N

Formula

C19H23F5O5

SMILES

CCCCCCCCOC(=O)COCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

426.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	62.39	kJ/mol	Joback Calculated Property
ΔvapH°	98.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.62		Relay (1.0) Calculated Property
logPoct/wat	4.346		Crippen Calculated Property
McVol	284.410	ml/mol	McGowan Calculated Property
Inp	[2810.00; 2810.00]
Inp	2810.00		NIST
Inp	2810.00		NIST
Tboil	629.19	K	Relay (1.0) Calculated Property
Tfus	313.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[870.07; 937.50]	J/mol×K	[821.11; 1006.04]
Cp,gas	870.07	J/mol×K	821.11	Joback Calculated Property
Cp,gas	883.94	J/mol×K	851.93	Joback Calculated Property
Cp,gas	896.77	J/mol×K	882.75	Joback Calculated Property
Cp,gas	908.54	J/mol×K	913.58	Joback Calculated Property
Cp,gas	919.26	J/mol×K	944.40	Joback Calculated Property
Cp,gas	928.91	J/mol×K	975.22	Joback Calculated Property
Cp,gas	937.50	J/mol×K	1006.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, octyl pentafluorobenzyl 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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