Chemical Properties of Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester

InChI

InChI=1S/C17H25F7O4/c1-2-3-4-5-6-7-11-27-13(25)9-8-10-14(26)28-12-15(18,19)16(20,21)17(22,23)24/h2-12H2,1H3

InChI Key

SDFLHZQHOPCPQH-UHFFFAOYSA-N

Formula

C17H25F7O4

SMILES

CCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

426.37

• 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	-2420.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.84	kJ/mol	Joback Calculated Property
ΔvapH°	84.35	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	5.437		Crippen Calculated Property
McVol	277.660	ml/mol	McGowan Calculated Property
Pc	1041.93	kPa	Joback Calculated Property
Inp	[1942.00; 1942.00]
Inp	1942.00		NIST
Inp	1942.00		NIST
Tboil	560.92	K	Relay (1.0) Calculated Property
Tc	670.79	K	Relay (1.0) Calculated Property
Tfus	254.87	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[836.42; 915.32]	J/mol×K	[690.20; 849.60]
Cp,gas	836.42	J/mol×K	690.20	Joback Calculated Property
Cp,gas	851.67	J/mol×K	716.77	Joback Calculated Property
Cp,gas	866.02	J/mol×K	743.33	Joback Calculated Property
Cp,gas	879.53	J/mol×K	769.90	Joback Calculated Property
Cp,gas	892.22	J/mol×K	796.47	Joback Calculated Property
Cp,gas	904.14	J/mol×K	823.03	Joback Calculated Property
Cp,gas	915.32	J/mol×K	849.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl 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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