Chemical Properties of Succinic acid, pentyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C16H19F3O4/c1-2-3-4-9-22-14(20)7-8-15(21)23-10-11-12(17)5-6-13(18)16(11)19/h5-6H,2-4,7-10H2,1H3

InChI Key

IXROQNPATLUFHC-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CCCCCOC(=O)CCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

332.32

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1262.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.88	kJ/mol	Joback Calculated Property
ΔvapH°	88.65	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	3.661		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[2020.00; 2020.00]
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	590.67	K	Relay (1.0) Calculated Property
Tc	771.28	K	Relay (1.0) Calculated Property
Tfus	293.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[669.92; 738.42]	J/mol×K	[757.49; 943.91]
Cp,gas	669.92	J/mol×K	757.49	Joback Calculated Property
Cp,gas	683.36	J/mol×K	788.56	Joback Calculated Property
Cp,gas	695.99	J/mol×K	819.63	Joback Calculated Property
Cp,gas	707.80	J/mol×K	850.70	Joback Calculated Property
Cp,gas	718.81	J/mol×K	881.77	Joback Calculated Property
Cp,gas	729.02	J/mol×K	912.84	Joback Calculated Property
Cp,gas	738.42	J/mol×K	943.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, pentyl 2,3,6-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.