Chemical Properties of Succinic acid, butyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C15H16F4O4/c1-2-3-6-22-11(20)4-5-12(21)23-8-9-7-10(16)14(18)15(19)13(9)17/h7H,2-6,8H2,1H3

InChI Key

ZSYFKLVFLJLLRW-UHFFFAOYSA-N

Formula

C15H16F4O4

SMILES

CCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

336.28

• 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	0.8311		Relay (... Calculated Property
ΔfG°	-1097.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1401.33	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.98	kJ/mol	Joback Calculated Property
ΔvapH°	83.88	kJ/mol	Relay (... Calculated Property
IE	9.18	eV	Relay (... Calculated Property
log10WS	-5.18		Relay (... Calculated Property
logPoct/wat	3.410		Crippen Calculated Property
McVol	220.410	ml/mol	McGowan Calculated Property
Pc	1632.49	kPa	Joback Calculated Property
Inp	[1850.00; 1850.00]
Inp	1850.00		NIST
Inp	1850.00		NIST
Tboil	565.25	K	Relay (... Calculated Property
Tc	739.76	K	Relay (... Calculated Property
Tfus	273.88	K	Relay (... Calculated Property
Vc	0.829	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.10; 686.21]	J/mol×K	[738.86; 921.17]
Cp,gas	622.10	J/mol×K	738.86	Joback Calculated Property
Cp,gas	634.59	J/mol×K	769.24	Joback Calculated Property
Cp,gas	646.36	J/mol×K	799.63	Joback Calculated Property
Cp,gas	657.40	J/mol×K	830.01	Joback Calculated Property
Cp,gas	667.73	J/mol×K	860.40	Joback Calculated Property
Cp,gas	677.33	J/mol×K	890.78	Joback Calculated Property
Cp,gas	686.21	J/mol×K	921.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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