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

InChI

InChI=1S/C25H30BrFO4/c1-2-3-4-5-6-7-8-11-16-30-24(28)21-12-9-10-13-22(21)25(29)31-18-19-17-20(27)14-15-23(19)26/h9-10,12-15,17H,2-8,11,16,18H2,1H3

InChI Key

JDDBMMULKIAOAL-UHFFFAOYSA-N

Formula

C25H30BrFO4

SMILES

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

Molecular Weight¹

493.41

• 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	1.1363		Relay (1.0) Calculated Property
ΔfG°	-292.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-863.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.36	kJ/mol	Joback Calculated Property
ΔvapH°	123.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-8.07		Relay (1.0) Calculated Property
logPoct/wat	7.243		Crippen Calculated Property
McVol	349.740	ml/mol	McGowan Calculated Property
Pc	1201.46	kPa	Joback Calculated Property
Inp	[3596.00; 3596.00]
Inp	3596.00		NIST
Inp	3596.00		NIST
Tboil	713.70	K	Relay (1.0) Calculated Property
Tc	945.78	K	Relay (1.0) Calculated Property
Tfus	305.99	K	Relay (1.0) Calculated Property
Vc	1.278	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1114.53; 1167.71]	J/mol×K	[1057.71; 1295.37]
Cp,gas	1114.53	J/mol×K	1057.71	Joback Calculated Property
Cp,gas	1126.71	J/mol×K	1097.32	Joback Calculated Property
Cp,gas	1137.48	J/mol×K	1136.93	Joback Calculated Property
Cp,gas	1146.90	J/mol×K	1176.54	Joback Calculated Property
Cp,gas	1155.03	J/mol×K	1216.15	Joback Calculated Property
Cp,gas	1161.95	J/mol×K	1255.76	Joback Calculated Property
Cp,gas	1167.71	J/mol×K	1295.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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