Chemical Properties of Glutaric acid, 2,5-difluorobenzyl eicosyl ester

InChI

InChI=1S/C32H52F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-37-31(35)21-20-22-32(36)38-27-28-26-29(33)23-24-30(28)34/h23-24,26H,2-22,25,27H2,1H3

InChI Key

RDDAJRSVWVIRPW-UHFFFAOYSA-N

Formula

C32H52F2O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

538.75

• 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	1.4214		Relay (1.0) Calculated Property
ΔfG°	-545.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1427.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.63	kJ/mol	Joback Calculated Property
ΔvapH°	149.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-9.16		Relay (1.0) Calculated Property
logPoct/wat	9.763		Crippen Calculated Property
McVol	456.400	ml/mol	McGowan Calculated Property
Pc	629.08	kPa	Joback Calculated Property
Inp	[3681.00; 3681.00]
Inp	3681.00		NIST
Inp	3681.00		NIST
Tboil	720.79	K	Relay (1.0) Calculated Property
Tc	903.05	K	Relay (1.0) Calculated Property
Tfus	326.62	K	Relay (1.0) Calculated Property
Vc	1.735	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1636.64; 1719.22]	J/mol×K	[1119.32; 1417.97]
Cp,gas	1636.64	J/mol×K	1119.32	Joback Calculated Property
Cp,gas	1657.08	J/mol×K	1169.09	Joback Calculated Property
Cp,gas	1674.63	J/mol×K	1218.87	Joback Calculated Property
Cp,gas	1689.45	J/mol×K	1268.64	Joback Calculated Property
Cp,gas	1701.71	J/mol×K	1318.42	Joback Calculated Property
Cp,gas	1711.57	J/mol×K	1368.19	Joback Calculated Property
Cp,gas	1719.22	J/mol×K	1417.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,5-difluorobenzyl eicosyl ester.

Sources

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

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