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

InChI

InChI=1S/C24H28BrFO4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-16-19(26)13-14-22(18)25/h8-9,11-14,16H,2-7,10,15,17H2,1H3

InChI Key

NDDMTOTVIGOBHV-UHFFFAOYSA-N

Formula

C24H28BrFO4

SMILES

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

Molecular Weight¹

479.38

• 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°	-301.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-759.42	kJ/mol	Joback Calculated Property
ΔfusH°	58.77	kJ/mol	Joback Calculated Property
ΔvapH°	99.49	kJ/mol	Joback Calculated Property
log10WS	-8.91		Crippen Calculated Property
logPoct/wat	6.853		Crippen Calculated Property
McVol	335.650	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[3496.00; 3496.00]
Inp	3496.00		NIST
Inp	3496.00		NIST
Tboil	1034.83	K	Joback Calculated Property
Tc	1268.87	K	Joback Calculated Property
Tfus	655.35	K	Joback Calculated Property
Vc	1.292	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1054.49; 1107.62]	J/mol×K	[1034.83; 1268.87]
Cp,gas	1054.49	J/mol×K	1034.83	Joback Calculated Property
Cp,gas	1066.55	J/mol×K	1073.84	Joback Calculated Property
Cp,gas	1077.26	J/mol×K	1112.84	Joback Calculated Property
Cp,gas	1086.66	J/mol×K	1151.85	Joback Calculated Property
Cp,gas	1094.81	J/mol×K	1190.86	Joback Calculated Property
Cp,gas	1101.78	J/mol×K	1229.86	Joback Calculated Property
Cp,gas	1107.62	J/mol×K	1268.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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