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

InChI

InChI=1S/C20H28F2O4/c1-2-3-4-5-6-7-8-12-25-19(23)10-9-11-20(24)26-18-14-16(21)13-17(22)15-18/h13-15H,2-12H2,1H3

InChI Key

JWQLMNFPTPLPJM-UHFFFAOYSA-N

Formula

C20H28F2O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

370.43

• 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	1.0291		Relay (1.0) Calculated Property
ΔfG°	-646.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1214.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.55	kJ/mol	Joback Calculated Property
ΔvapH°	100.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	5.334		Crippen Calculated Property
McVol	287.320	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[2421.00; 2421.00]
Inp	2421.00		NIST
Inp	2421.00		NIST
Tboil	631.66	K	Relay (1.0) Calculated Property
Tc	817.44	K	Relay (1.0) Calculated Property
Tfus	304.68	K	Relay (1.0) Calculated Property
Vc	1.089	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.79; 968.09]	J/mol×K	[844.76; 1038.99]
Cp,gas	891.79	J/mol×K	844.76	Joback Calculated Property
Cp,gas	907.11	J/mol×K	877.13	Joback Calculated Property
Cp,gas	921.37	J/mol×K	909.50	Joback Calculated Property
Cp,gas	934.58	J/mol×K	941.87	Joback Calculated Property
Cp,gas	946.76	J/mol×K	974.24	Joback Calculated Property
Cp,gas	957.92	J/mol×K	1006.62	Joback Calculated Property
Cp,gas	968.09	J/mol×K	1038.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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