Chemical Properties of Succinic acid, 3,4-difluorobenzyl pentyl ester

InChI

InChI=1S/C16H20F2O4/c1-2-3-4-9-21-15(19)7-8-16(20)22-11-12-5-6-13(17)14(18)10-12/h5-6,10H,2-4,7-9,11H2,1H3

InChI Key

JQFKHHSAHPYXPA-UHFFFAOYSA-N

Formula

C16H20F2O4

SMILES

CCCCCOC(=O)CCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

314.32

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8381		Relay (... Calculated Property
ΔfG°	-680.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1108.89	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.19	kJ/mol	Joback Calculated Property
ΔvapH°	88.24	kJ/mol	Relay (... Calculated Property
IE	8.86	eV	Relay (... Calculated Property
log10WS	-4.64		Relay (... Calculated Property
logPoct/wat	3.522		Crippen Calculated Property
McVol	230.960	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[2024.00; 2024.00]
Inp	2024.00		NIST
Inp	2024.00		NIST
Tboil	588.51	K	Relay (... Calculated Property
Tc	772.62	K	Relay (... Calculated Property
Tfus	268.52	K	Relay (... Calculated Property
Vc	0.866	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.08; 734.14]	J/mol×K	[753.24; 943.80]
Cp,gas	663.08	J/mol×K	753.24	Joback Calculated Property
Cp,gas	677.05	J/mol×K	785.00	Joback Calculated Property
Cp,gas	690.16	J/mol×K	816.76	Joback Calculated Property
Cp,gas	702.41	J/mol×K	848.52	Joback Calculated Property
Cp,gas	713.82	J/mol×K	880.28	Joback Calculated Property
Cp,gas	724.40	J/mol×K	912.04	Joback Calculated Property
Cp,gas	734.14	J/mol×K	943.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,4-difluorobenzyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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