Chemical Properties of Glutaric acid, 2-bromo-5-fluorobenzyl hexadecyl ester

InChI

InChI=1S/C28H44BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-33-27(31)17-16-18-28(32)34-23-24-22-25(30)19-20-26(24)29/h19-20,22H,2-18,21,23H2,1H3

InChI Key

KGKZHIAYOWWGOW-UHFFFAOYSA-N

Formula

C28H44BrFO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)ccc1Br

Molecular Weight¹

543.55

• 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	1.2953		Relay (1.0) Calculated Property
ΔfG°	-370.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1165.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.48	kJ/mol	Joback Calculated Property
ΔvapH°	137.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-8.52		Relay (1.0) Calculated Property
logPoct/wat	8.826		Crippen Calculated Property
McVol	415.770	ml/mol	McGowan Calculated Property
Pc	821.48	kPa	Joback Calculated Property
Inp	[3554.00; 3554.00]
Inp	3554.00		NIST
Inp	3554.00		NIST
Tboil	721.88	K	Relay (1.0) Calculated Property
Tc	902.10	K	Relay (1.0) Calculated Property
Tfus	320.51	K	Relay (1.0) Calculated Property
Vc	1.550	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1413.85; 1486.69]	J/mol×K	[1094.69; 1354.30]
Cp,gas	1413.85	J/mol×K	1094.69	Joback Calculated Property
Cp,gas	1430.41	J/mol×K	1137.96	Joback Calculated Property
Cp,gas	1445.07	J/mol×K	1181.23	Joback Calculated Property
Cp,gas	1457.93	J/mol×K	1224.50	Joback Calculated Property
Cp,gas	1469.08	J/mol×K	1267.76	Joback Calculated Property
Cp,gas	1478.64	J/mol×K	1311.03	Joback Calculated Property
Cp,gas	1486.69	J/mol×K	1354.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-bromo-5-fluorobenzyl hexadecyl ester.

Sources

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

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