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

InChI

InChI=1S/C24H36F2O4/c1-3-4-5-6-7-8-9-10-11-18-29-22(27)16-13-17-23(28)30-19(2)24-20(25)14-12-15-21(24)26/h12,14-15,19H,3-11,13,16-18H2,1-2H3

InChI Key

BUTYVOWWRXQNBT-UHFFFAOYSA-N

Formula

C24H36F2O4

SMILES

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

Molecular Weight¹

426.54

• 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°	-615.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1212.20	kJ/mol	Joback Calculated Property
ΔfusH°	59.39	kJ/mol	Joback Calculated Property
ΔvapH°	88.91	kJ/mol	Joback Calculated Property
log10WS	-7.82		Crippen Calculated Property
logPoct/wat	6.813		Crippen Calculated Property
McVol	343.680	ml/mol	McGowan Calculated Property
Pc	969.88	kPa	Joback Calculated Property
Inp	[2791.00; 2791.00]
Inp	2791.00		NIST
Inp	2791.00		NIST
Tboil	935.84	K	Joback Calculated Property
Tc	1145.80	K	Joback Calculated Property
Tfus	542.20	K	Joback Calculated Property
Vc	1.349	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1133.26; 1212.65]	J/mol×K	[935.84; 1145.80]
Cp,gas	1133.26	J/mol×K	935.84	Joback Calculated Property
Cp,gas	1149.86	J/mol×K	970.83	Joback Calculated Property
Cp,gas	1165.06	J/mol×K	1005.83	Joback Calculated Property
Cp,gas	1178.91	J/mol×K	1040.82	Joback Calculated Property
Cp,gas	1191.43	J/mol×K	1075.81	Joback Calculated Property
Cp,gas	1202.67	J/mol×K	1110.81	Joback Calculated Property
Cp,gas	1212.65	J/mol×K	1145.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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