Chemical Properties of Succinic acid, propyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C15H17F3O4/c1-2-9-21-13(19)7-8-14(20)22-10-11-5-3-4-6-12(11)15(16,17)18/h3-6H,2,7-10H2,1H3

InChI Key

ZKXLIAPDJPZGMC-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

318.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	38.82	kJ/mol	Joback Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.482		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[1826.00; 1826.00]
Inp	1826.00		NIST
Inp	1826.00		NIST
Tboil	574.81	K	Relay (1.0) Calculated Property
Tc	751.30	K	Relay (1.0) Calculated Property
Tfus	286.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[609.72; 679.74]	J/mol×K	[685.48; 872.42]
Cp,gas	609.72	J/mol×K	685.48	Joback Calculated Property
Cp,gas	623.64	J/mol×K	716.64	Joback Calculated Property
Cp,gas	636.63	J/mol×K	747.79	Joback Calculated Property
Cp,gas	648.71	J/mol×K	778.95	Joback Calculated Property
Cp,gas	659.90	J/mol×K	810.11	Joback Calculated Property
Cp,gas	670.24	J/mol×K	841.26	Joback Calculated Property
Cp,gas	679.74	J/mol×K	872.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, propyl 2-(trifluoromethyl)benzyl 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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