Chemical Properties of Succinic acid, isobutyl 2,4,5-trifluorobenzyl ester

InChI

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

InChI Key

YHYKXSBUUXQMPP-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1cc(F)c(F)cc1F

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	0.7825		Relay (1.0) Calculated Property
ΔfG°	-895.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1270.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.77	kJ/mol	Joback Calculated Property
ΔvapH°	83.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) 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	[1829.00; 1829.00]
Inp	1829.00		NIST
Inp	1829.00		NIST
Tboil	570.58	K	Relay (1.0) Calculated Property
Tc	751.72	K	Relay (1.0) Calculated Property
Tfus	310.08	K	Relay (1.0) Calculated Property
Vc	0.823	m3/kmol	Relay (1.0) 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 2,4,5-trifluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• 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.