Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 3-phenylpropyl ester

InChI

InChI=1S/C16H18F4O4/c17-15(18)16(19,20)11-24-14(22)9-8-13(21)23-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2

InChI Key

ROOPMWIEOGQMQC-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

O=C(CCC(=O)OCC(F)(F)C(F)F)OCCCc1ccccc1

Molecular Weight¹

350.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-4.30		Relay (1.0) Calculated Property
logPoct/wat	3.386		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1518.75	kPa	Joback Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	602.76	K	Relay (1.0) Calculated Property
Tfus	311.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.34; 772.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.46600e+00
Coefficient B			1.51420e+00
Coefficient C			-9.29200e-04
Coefficient D			1.84300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.34	J/mol×K	273.00	Calculated Property
Cp,gas	431.02	J/mol×K	353.78	Calculated Property
Cp,gas	501.13	J/mol×K	434.56	Calculated Property
Cp,gas	562.24	J/mol×K	515.33	Calculated Property
Cp,gas	614.95	J/mol×K	596.11	Calculated Property
Cp,gas	659.83	J/mol×K	676.89	Calculated Property
Cp,gas	697.47	J/mol×K	757.67	Calculated Property
Cp,gas	728.45	J/mol×K	838.44	Calculated Property
Cp,gas	753.36	J/mol×K	919.22	Calculated Property
Cp,gas	772.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 3-phenylpropyl 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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