Chemical Properties of Succinic acid, 3,5-difluorophenyl 6-chlorohexyl ester

InChI

InChI=1S/C16H19ClF2O4/c17-7-3-1-2-4-8-22-15(20)5-6-16(21)23-14-10-12(18)9-13(19)11-14/h9-11H,1-8H2

InChI Key

FOTKYZDDEIFNKA-UHFFFAOYSA-N

Formula

C16H19ClF2O4

SMILES

O=C(CCC(=O)Oc1cc(F)cc(F)c1)OCCCCCCCl

Molecular Weight¹

348.77

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1136.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.55	kJ/mol	Joback Calculated Property
ΔvapH°	97.91	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.993		Crippen Calculated Property
McVol	243.200	ml/mol	McGowan Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tfus	306.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[679.86; 745.76]	J/mol×K	[754.73; 945.06]
Cp,gas	679.86	J/mol×K	754.73	Joback Calculated Property
Cp,gas	693.14	J/mol×K	786.45	Joback Calculated Property
Cp,gas	705.49	J/mol×K	818.17	Joback Calculated Property
Cp,gas	716.91	J/mol×K	849.89	Joback Calculated Property
Cp,gas	727.42	J/mol×K	881.61	Joback Calculated Property
Cp,gas	737.03	J/mol×K	913.34	Joback Calculated Property
Cp,gas	745.76	J/mol×K	945.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-difluorophenyl 6-chlorohexyl 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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