Chemical Properties of Succinic acid, nonyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C20H26F4O4/c1-2-3-4-5-6-7-8-11-27-16(25)9-10-17(26)28-13-14-12-15(21)19(23)20(24)18(14)22/h12H,2-11,13H2,1H3

InChI Key

IHWQKFWUXRVGNN-UHFFFAOYSA-N

Formula

C20H26F4O4

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

406.41

• 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	-1494.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.10	kJ/mol	Joback Calculated Property
ΔvapH°	102.07	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	5.360		Crippen Calculated Property
McVol	290.860	ml/mol	McGowan Calculated Property
Pc	1084.20	kPa	Joback Calculated Property
Inp	[2342.00; 2342.00]
Inp	2342.00		NIST
Inp	2342.00		NIST
Tboil	617.82	K	Relay (1.0) Calculated Property
Tc	794.37	K	Relay (1.0) Calculated Property
Tfus	293.14	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[448.17; 964.96]	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			8.31810e+01
Coefficient B			1.52452e+00
Coefficient C			-7.03640e-04
Coefficient D			6.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	448.17	J/mol×K	273.00	Calculated Property
Cp,gas	537.15	J/mol×K	353.78	Calculated Property
Cp,gas	617.79	J/mol×K	434.56	Calculated Property
Cp,gas	690.29	J/mol×K	515.33	Calculated Property
Cp,gas	754.83	J/mol×K	596.11	Calculated Property
Cp,gas	811.61	J/mol×K	676.89	Calculated Property
Cp,gas	860.82	J/mol×K	757.67	Calculated Property
Cp,gas	902.65	J/mol×K	838.44	Calculated Property
Cp,gas	937.30	J/mol×K	919.22	Calculated Property
Cp,gas	964.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, nonyl 2,3,4,5-tetrafluorobenzyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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