Chemical Properties of Glutaric acid, heptyl 2-(pentafluorophenoxy)ethyl ester

InChI

InChI=1S/C20H25F5O5/c1-2-3-4-5-6-10-28-13(26)8-7-9-14(27)29-11-12-30-20-18(24)16(22)15(21)17(23)19(20)25/h2-12H2,1H3

InChI Key

CMNQTCRTJVGEJG-UHFFFAOYSA-N

Formula

C20H25F5O5

SMILES

CCCCCCCOC(=O)CCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

440.40

• 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	-1749.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.98	kJ/mol	Joback Calculated Property
ΔvapH°	103.29	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.84		Relay (1.0) Calculated Property
logPoct/wat	4.988		Crippen Calculated Property
McVol	298.500	ml/mol	McGowan Calculated Property
Pc	1031.25	kPa	Joback Calculated Property
Inp	[2457.00; 2457.00]
Inp	2457.00		NIST
Inp	2457.00		NIST
Tboil	627.22	K	Relay (1.0) Calculated Property
Tc	792.41	K	Relay (1.0) Calculated Property
Tfus	301.80	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	[474.33; 987.49]	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			1.29071e+02
Coefficient B			1.41362e+00
Coefficient C			-5.42000e-04
Coefficient D			-1.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	474.33	J/mol×K	273.00	Calculated Property
Cp,gas	560.76	J/mol×K	353.78	Calculated Property
Cp,gas	639.93	J/mol×K	434.56	Calculated Property
Cp,gas	711.81	J/mol×K	515.33	Calculated Property
Cp,gas	776.35	J/mol×K	596.11	Calculated Property
Cp,gas	833.51	J/mol×K	676.89	Calculated Property
Cp,gas	883.24	J/mol×K	757.67	Calculated Property
Cp,gas	925.51	J/mol×K	838.44	Calculated Property
Cp,gas	960.28	J/mol×K	919.22	Calculated Property
Cp,gas	987.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, heptyl 2-(pentafluorophenoxy)ethyl 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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