Chemical Properties of Diglycolic acid, butyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C14H16ClFO5/c1-2-3-7-20-12(17)8-19-9-13(18)21-14-10(15)5-4-6-11(14)16/h4-6H,2-3,7-9H2,1H3

InChI Key

HTCABCYLRYHDNW-UHFFFAOYSA-N

Formula

C14H16ClFO5

SMILES

CCCCOC(=O)COCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

318.73

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.48	kJ/mol	Joback Calculated Property
logPoct/wat	2.744		Crippen Calculated Property
McVol	219.120	ml/mol	McGowan Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, 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, 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	[590.61; 653.07]	J/mol×K	[732.12; 929.92]
Cp,gas	590.61	J/mol×K	732.12	Joback Calculated Property
Cp,gas	603.35	J/mol×K	765.09	Joback Calculated Property
Cp,gas	615.16	J/mol×K	798.05	Joback Calculated Property
Cp,gas	626.04	J/mol×K	831.02	Joback Calculated Property
Cp,gas	635.99	J/mol×K	863.99	Joback Calculated Property
Cp,gas	645.00	J/mol×K	896.96	Joback Calculated Property
Cp,gas	653.07	J/mol×K	929.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, butyl 2-chloro-6-fluorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.