Chemical Properties of Succinic acid, isobutyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C16H17F5O4/c1-7(2)6-24-9(22)4-5-10(23)25-8(3)11-12(17)14(19)16(21)15(20)13(11)18/h7-8H,4-6H2,1-3H3

InChI Key

SSQKRUANSQNICG-UHFFFAOYSA-N

Formula

C16H17F5O4

SMILES

CC(C)COC(=O)CCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

368.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1596.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.38	kJ/mol	Joback Calculated Property
ΔvapH°	84.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
logPoct/wat	3.966		Crippen Calculated Property
McVol	236.270	ml/mol	McGowan Calculated Property
Pc	1374.80	kPa	Joback Calculated Property
Inp	[1772.00; 1772.00]
Inp	1772.00		NIST
Inp	1772.00		NIST
Tboil	554.91	K	Relay (1.0) Calculated Property
Tc	737.55	K	Relay (1.0) Calculated Property
Tfus	318.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.63; 740.71]	J/mol×K	[729.17; 906.94]
Cp,gas	674.63	J/mol×K	729.17	Joback Calculated Property
Cp,gas	687.66	J/mol×K	758.80	Joback Calculated Property
Cp,gas	699.88	J/mol×K	788.43	Joback Calculated Property
Cp,gas	711.30	J/mol×K	818.05	Joback Calculated Property
Cp,gas	721.91	J/mol×K	847.68	Joback Calculated Property
Cp,gas	731.71	J/mol×K	877.31	Joback Calculated Property
Cp,gas	740.71	J/mol×K	906.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 1-(pentafluorophenyl)ethyl 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.
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