Chemical Properties of Diglycolic acid, isobutyl pentafluorobenzyl ester

InChI

InChI=1S/C15H15F5O5/c1-7(2)3-24-9(21)5-23-6-10(22)25-4-8-11(16)13(18)15(20)14(19)12(8)17/h7H,3-6H2,1-2H3

InChI Key

UDCCKKOZPLOWHA-UHFFFAOYSA-N

Formula

C15H15F5O5

SMILES

CC(C)COC(=O)COCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

370.27

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.51	kJ/mol	Joback Calculated Property
ΔvapH°	83.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
logPoct/wat	2.641		Crippen Calculated Property
McVol	228.050	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[2272.00; 2272.00]
Inp	2272.00		NIST
Inp	2272.00		NIST
Tboil	586.34	K	Relay (1.0) Calculated Property
Tc	754.87	K	Relay (1.0) Calculated Property
Tfus	313.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[647.02; 708.89]	J/mol×K	[729.15; 905.62]
Cp,gas	647.02	J/mol×K	729.15	Joback Calculated Property
Cp,gas	659.27	J/mol×K	758.56	Joback Calculated Property
Cp,gas	670.76	J/mol×K	787.97	Joback Calculated Property
Cp,gas	681.48	J/mol×K	817.38	Joback Calculated Property
Cp,gas	691.42	J/mol×K	846.79	Joback Calculated Property
Cp,gas	700.56	J/mol×K	876.21	Joback Calculated Property
Cp,gas	708.89	J/mol×K	905.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isobutyl pentafluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• 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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