Chemical Properties of Succinic acid, isobutyl 3,4,5-trifluorobenzyl ester

InChI

InChI=1S/C15H17F3O4/c1-9(2)7-21-13(19)3-4-14(20)22-8-10-5-11(16)15(18)12(17)6-10/h5-6,9H,3-4,7-8H2,1-2H3

InChI Key

VXZJAEZVXPZDHM-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

318.29

• 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	0.7841		Relay (... Calculated Property
ΔfG°	-895.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1262.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.77	kJ/mol	Joback Calculated Property
ΔvapH°	80.98	kJ/mol	Relay (... Calculated Property
IE	9.21	eV	Relay (... Calculated Property
log10WS	-4.72		Relay (... Calculated Property
logPoct/wat	3.127		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1726.03	kPa	Joback Calculated Property
Inp	[1847.00; 1847.00]
Inp	1847.00		NIST
Inp	1847.00		NIST
Tboil	562.47	K	Relay (... Calculated Property
Tc	742.26	K	Relay (... Calculated Property
Tfus	281.36	K	Relay (... Calculated Property
Vc	0.818	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.82; 683.01]	J/mol×K	[734.17; 922.85]
Cp,gas	615.82	J/mol×K	734.17	Joback Calculated Property
Cp,gas	628.99	J/mol×K	765.62	Joback Calculated Property
Cp,gas	641.37	J/mol×K	797.06	Joback Calculated Property
Cp,gas	652.96	J/mol×K	828.51	Joback Calculated Property
Cp,gas	663.76	J/mol×K	859.95	Joback Calculated Property
Cp,gas	673.78	J/mol×K	891.40	Joback Calculated Property
Cp,gas	683.01	J/mol×K	922.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 3,4,5-trifluorobenzyl ester.

Sources

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

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