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

InChI

InChI=1S/C12H12ClFO5/c1-2-18-10(15)6-17-7-11(16)19-12-8(13)4-3-5-9(12)14/h3-5H,2,6-7H2,1H3

InChI Key

LENPPBDOXUEACY-UHFFFAOYSA-N

Formula

C12H12ClFO5

SMILES

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

Molecular Weight¹

290.67

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.14	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
logPoct/wat	1.964		Crippen Calculated Property
McVol	190.940	ml/mol	McGowan Calculated Property
Inp	[2254.00; 2254.00]
Inp	2254.00		NIST
Inp	2254.00		NIST
Tboil	570.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[492.88; 549.83]	J/mol×K	[722.30; 928.03]
Cp,gas	492.88	J/mol×K	722.30	Joback Calculated Property
Cp,gas	504.36	J/mol×K	756.59	Joback Calculated Property
Cp,gas	515.06	J/mol×K	790.88	Joback Calculated Property
Cp,gas	524.98	J/mol×K	825.17	Joback Calculated Property
Cp,gas	534.09	J/mol×K	859.46	Joback Calculated Property
Cp,gas	542.37	J/mol×K	893.75	Joback Calculated Property
Cp,gas	549.83	J/mol×K	928.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-chloro-6-fluorophenyl ethyl 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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