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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-692.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1057.54	kJ/mol	Joback Calculated Property
ΔfusH°	46.39	kJ/mol	Joback Calculated Property
ΔvapH°	75.87	kJ/mol	Joback Calculated Property
log10WS	-4.81		Crippen Calculated Property
logPoct/wat	3.993		Crippen Calculated Property
McVol	243.200	ml/mol	McGowan Calculated Property
Pc	1615.47	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	790.67	K	Joback Calculated Property
Tc	985.82	K	Joback Calculated Property
Tfus	496.96	K	Joback Calculated Property
Vc	0.957	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.40; 754.13]	J/mol×K	[790.67; 985.82]
Cp,gas	689.40	J/mol×K	790.67	Joback Calculated Property
Cp,gas	702.38	J/mol×K	823.19	Joback Calculated Property
Cp,gas	714.47	J/mol×K	855.72	Joback Calculated Property
Cp,gas	725.68	J/mol×K	888.24	Joback Calculated Property
Cp,gas	736.02	J/mol×K	920.77	Joback Calculated Property
Cp,gas	745.50	J/mol×K	953.29	Joback Calculated Property
Cp,gas	754.13	J/mol×K	985.82	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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