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

InChI

InChI=1S/C18H24F2O4/c1-3-4-5-12-23-16(21)10-7-11-17(22)24-13(2)18-14(19)8-6-9-15(18)20/h6,8-9,13H,3-5,7,10-12H2,1-2H3

InChI Key

SHIYKUFDSNWINA-UHFFFAOYSA-N

Formula

C18H24F2O4

SMILES

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

Molecular Weight¹

342.38

• 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	-1174.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.01	kJ/mol	Joback Calculated Property
ΔvapH°	93.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	4.473		Crippen Calculated Property
McVol	259.140	ml/mol	McGowan Calculated Property
Pc	1354.63	kPa	Joback Calculated Property
Inp	[2181.00; 2181.00]
Inp	2181.00		NIST
Inp	2181.00		NIST
Tboil	601.55	K	Relay (1.0) Calculated Property
Tc	791.70	K	Relay (1.0) Calculated Property
Tfus	290.04	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	[764.17; 840.03]	J/mol×K	[762.62; 950.33]
Cp,gas	764.17	J/mol×K	762.62	Joback Calculated Property
Cp,gas	779.32	J/mol×K	793.91	Joback Calculated Property
Cp,gas	793.44	J/mol×K	825.19	Joback Calculated Property
Cp,gas	806.56	J/mol×K	856.48	Joback Calculated Property
Cp,gas	818.69	J/mol×K	887.76	Joback Calculated Property
Cp,gas	829.84	J/mol×K	919.05	Joback Calculated Property
Cp,gas	840.03	J/mol×K	950.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2,6-difluorophenyl)ethyl pentyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.