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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-666.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1088.36	kJ/mol	Joback Calculated Property
ΔfusH°	43.85	kJ/mol	Joback Calculated Property
ΔvapH°	75.55	kJ/mol	Joback Calculated Property
log10WS	-5.31		Crippen Calculated Property
logPoct/wat	4.473		Crippen Calculated Property
McVol	259.140	ml/mol	McGowan Calculated Property
Pc	1440.25	kPa	Joback Calculated Property
Inp	[2181.00; 2181.00]
Inp	2181.00		NIST
Inp	2181.00		NIST
Tboil	798.56	K	Joback Calculated Property
Tc	991.38	K	Joback Calculated Property
Tfus	474.58	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.15; 850.54]	J/mol×K	[798.56; 991.38]
Cp,gas	776.15	J/mol×K	798.56	Joback Calculated Property
Cp,gas	790.96	J/mol×K	830.70	Joback Calculated Property
Cp,gas	804.79	J/mol×K	862.83	Joback Calculated Property
Cp,gas	817.65	J/mol×K	894.97	Joback Calculated Property
Cp,gas	829.56	J/mol×K	927.10	Joback Calculated Property
Cp,gas	840.52	J/mol×K	959.24	Joback Calculated Property
Cp,gas	850.54	J/mol×K	991.38	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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