Chemical Properties of Glutaric acid, 2-(4-fluorophenyl)ethyl octadecyl ester

InChI

InChI=1S/C31H51FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-35-30(33)19-18-20-31(34)36-27-25-28-21-23-29(32)24-22-28/h21-24H,2-20,25-27H2,1H3

InChI Key

KNYQRNCEWTWTEK-UHFFFAOYSA-N

Formula

C31H51FO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCc1ccc(F)cc1

Molecular Weight¹

506.73

• 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	1.3704		Relay (1.0) Calculated Property
ΔfG°	-349.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1260.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.35	kJ/mol	Joback Calculated Property
ΔvapH°	147.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-8.38		Relay (1.0) Calculated Property
logPoct/wat	8.886		Crippen Calculated Property
McVol	440.540	ml/mol	McGowan Calculated Property
Pc	681.36	kPa	Joback Calculated Property
Inp	[3644.00; 3644.00]
Inp	3644.00		NIST
Inp	3644.00		NIST
Tboil	725.32	K	Relay (1.0) Calculated Property
Tc	898.00	K	Relay (1.0) Calculated Property
Tfus	318.64	K	Relay (1.0) Calculated Property
Vc	1.674	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1567.20; 1652.82]	J/mol×K	[1092.19; 1365.18]
Cp,gas	1567.20	J/mol×K	1092.19	Joback Calculated Property
Cp,gas	1587.00	J/mol×K	1137.69	Joback Calculated Property
Cp,gas	1604.41	J/mol×K	1183.19	Joback Calculated Property
Cp,gas	1619.57	J/mol×K	1228.68	Joback Calculated Property
Cp,gas	1632.60	J/mol×K	1274.18	Joback Calculated Property
Cp,gas	1643.64	J/mol×K	1319.68	Joback Calculated Property
Cp,gas	1652.82	J/mol×K	1365.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(4-fluorophenyl)ethyl octadecyl ester.

Sources

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

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