Chemical Properties of Phthalic acid, 2-bromo-5-fluorobenzyl undecyl ester

InChI

InChI=1S/C26H32BrFO4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-18-21(28)15-16-24(20)27/h10-11,13-16,18H,2-9,12,17,19H2,1H3

InChI Key

PPNUNRWZEWAUHS-UHFFFAOYSA-N

Formula

C26H32BrFO4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1Br

Molecular Weight¹

507.43

• 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°	-284.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.70	kJ/mol	Joback Calculated Property
ΔfusH°	63.95	kJ/mol	Joback Calculated Property
ΔvapH°	103.94	kJ/mol	Joback Calculated Property
log10WS	-9.75		Crippen Calculated Property
logPoct/wat	7.633		Crippen Calculated Property
McVol	363.830	ml/mol	McGowan Calculated Property
Pc	1125.32	kPa	Joback Calculated Property
Inp	[3692.00; 3692.00]
Inp	3692.00		NIST
Inp	3692.00		NIST
Tboil	1080.59	K	Joback Calculated Property
Tc	1322.95	K	Joback Calculated Property
Tfus	677.89	K	Joback Calculated Property
Vc	1.403	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1174.98; 1228.19]	J/mol×K	[1080.59; 1322.95]
Cp,gas	1174.98	J/mol×K	1080.59	Joback Calculated Property
Cp,gas	1187.30	J/mol×K	1120.98	Joback Calculated Property
Cp,gas	1198.14	J/mol×K	1161.38	Joback Calculated Property
Cp,gas	1207.57	J/mol×K	1201.77	Joback Calculated Property
Cp,gas	1215.68	J/mol×K	1242.17	Joback Calculated Property
Cp,gas	1222.52	J/mol×K	1282.56	Joback Calculated Property
Cp,gas	1228.19	J/mol×K	1322.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-bromo-5-fluorobenzyl undecyl ester.

Sources

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

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