Chemical Properties of Glutaric acid, 3,5-difluorophenyl isobutyl ester

InChI

InChI=1S/C15H18F2O4/c1-10(2)9-20-14(18)4-3-5-15(19)21-13-7-11(16)6-12(17)8-13/h6-8,10H,3-5,9H2,1-2H3

InChI Key

PYTUXSKMJKECKD-UHFFFAOYSA-N

Formula

C15H18F2O4

SMILES

CC(C)COC(=O)CCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

300.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8039		Relay (1.0) Calculated Property
ΔfG°	-691.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1136.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	81.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	3.240		Crippen Calculated Property
McVol	216.870	ml/mol	McGowan Calculated Property
Pc	1815.41	kPa	Joback Calculated Property
Inp	[1869.00; 1869.00]
Inp	1869.00		NIST
Inp	1869.00		NIST
Tboil	578.59	K	Relay (1.0) Calculated Property
Tc	766.51	K	Relay (1.0) Calculated Property
Tfus	303.01	K	Relay (1.0) Calculated Property
Vc	0.816	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.93; 678.92]	J/mol×K	[729.92; 923.67]
Cp,gas	608.93	J/mol×K	729.92	Joback Calculated Property
Cp,gas	622.70	J/mol×K	762.21	Joback Calculated Property
Cp,gas	635.61	J/mol×K	794.50	Joback Calculated Property
Cp,gas	647.69	J/mol×K	826.80	Joback Calculated Property
Cp,gas	658.93	J/mol×K	859.09	Joback Calculated Property
Cp,gas	669.34	J/mol×K	891.38	Joback Calculated Property
Cp,gas	678.92	J/mol×K	923.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,5-difluorophenyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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