Chemical Properties of Glutaric acid, decyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C22H30F4O4/c1-2-3-4-5-6-7-8-9-13-29-18(27)11-10-12-19(28)30-15-16-14-17(23)21(25)22(26)20(16)24/h14H,2-13,15H2,1H3

InChI Key

BYBZSDXPCGKVIC-UHFFFAOYSA-N

Formula

C22H30F4O4

SMILES

CCCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

434.46

• 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	-1533.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.28	kJ/mol	Joback Calculated Property
ΔvapH°	108.08	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	6.140		Crippen Calculated Property
McVol	319.040	ml/mol	McGowan Calculated Property
Pc	959.10	kPa	Joback Calculated Property
Inp	[2645.00; 2645.00]
Inp	2645.00		NIST
Inp	2645.00		NIST
Tboil	641.50	K	Relay (1.0) Calculated Property
Tc	812.61	K	Relay (1.0) Calculated Property
Tfus	296.21	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	[490.60; 1068.14]	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			8.13630e+01
Coefficient B			1.71452e+00
Coefficient C			-8.12440e-04
Coefficient D			8.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.60	J/mol×K	273.00	Calculated Property
Cp,gas	589.99	J/mol×K	353.78	Calculated Property
Cp,gas	679.95	J/mol×K	434.56	Calculated Property
Cp,gas	760.75	J/mol×K	515.33	Calculated Property
Cp,gas	832.65	J/mol×K	596.11	Calculated Property
Cp,gas	895.93	J/mol×K	676.89	Calculated Property
Cp,gas	950.85	J/mol×K	757.67	Calculated Property
Cp,gas	997.68	J/mol×K	838.44	Calculated Property
Cp,gas	1036.69	J/mol×K	919.22	Calculated Property
Cp,gas	1068.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, decyl 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.
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