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

InChI

InChI=1S/C17H22F2O4/c1-11(2)10-22-15(20)8-5-9-16(21)23-12(3)17-13(18)6-4-7-14(17)19/h4,6-7,11-12H,5,8-10H2,1-3H3

InChI Key

YLWWQUFIBITGEA-UHFFFAOYSA-N

Formula

C17H22F2O4

SMILES

CC(C)COC(=O)CCCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

328.35

• 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°	-676.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1073.00	kJ/mol	Joback Calculated Property
ΔfusH°	37.74	kJ/mol	Joback Calculated Property
ΔvapH°	72.94	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	3.939		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[2034.00; 2034.00]
Inp	2034.00		NIST
Inp	2034.00		NIST
Tboil	775.24	K	Joback Calculated Property
Tc	969.96	K	Joback Calculated Property
Tfus	448.31	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.94; 793.64]	J/mol×K	[775.24; 969.96]
Cp,gas	719.94	J/mol×K	775.24	Joback Calculated Property
Cp,gas	734.60	J/mol×K	807.69	Joback Calculated Property
Cp,gas	748.30	J/mol×K	840.15	Joback Calculated Property
Cp,gas	761.04	J/mol×K	872.60	Joback Calculated Property
Cp,gas	772.84	J/mol×K	905.05	Joback Calculated Property
Cp,gas	783.70	J/mol×K	937.51	Joback Calculated Property
Cp,gas	793.64	J/mol×K	969.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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