Chemical Properties of Glutaric acid, 1-(2,6-difluorophenyl)ethyl hexyl ester

InChI

InChI=1S/C19H26F2O4/c1-3-4-5-6-13-24-17(22)11-8-12-18(23)25-14(2)19-15(20)9-7-10-16(19)21/h7,9-10,14H,3-6,8,11-13H2,1-2H3

InChI Key

ZOLYWIWIYLZGRT-UHFFFAOYSA-N

Formula

C19H26F2O4

SMILES

CCCCCCOC(=O)CCCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

356.41

• 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	-1193.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.60	kJ/mol	Joback Calculated Property
ΔvapH°	97.11	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.863		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1263.75	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	611.09	K	Relay (1.0) Calculated Property
Tc	801.62	K	Relay (1.0) Calculated Property
Tfus	293.42	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	[821.26; 898.04]	J/mol×K	[785.50; 973.79]
Cp,gas	821.26	J/mol×K	785.50	Joback Calculated Property
Cp,gas	836.67	J/mol×K	816.88	Joback Calculated Property
Cp,gas	851.01	J/mol×K	848.26	Joback Calculated Property
Cp,gas	864.30	J/mol×K	879.64	Joback Calculated Property
Cp,gas	876.56	J/mol×K	911.02	Joback Calculated Property
Cp,gas	887.80	J/mol×K	942.40	Joback Calculated Property
Cp,gas	898.04	J/mol×K	973.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2,6-difluorophenyl)ethyl hexyl 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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