Chemical Properties of Sebacic acid, 2-bromo-5-fluorobenzyl heptyl ester

InChI

InChI=1S/C24H36BrFO4/c1-2-3-4-9-12-17-29-23(27)13-10-7-5-6-8-11-14-24(28)30-19-20-18-21(26)15-16-22(20)25/h15-16,18H,2-14,17,19H2,1H3

InChI Key

AUANCSPFXOYJIM-UHFFFAOYSA-N

Formula

C24H36BrFO4

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OCc1cc(F)ccc1Br

Molecular Weight¹

487.44

• 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°	-403.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-984.48	kJ/mol	Joback Calculated Property
ΔfusH°	65.12	kJ/mol	Joback Calculated Property
ΔvapH°	96.55	kJ/mol	Joback Calculated Property
log10WS	-8.69		Crippen Calculated Property
logPoct/wat	7.266		Crippen Calculated Property
McVol	359.410	ml/mol	McGowan Calculated Property
Pc	1037.23	kPa	Joback Calculated Property
Inp	[3099.00; 3099.00]
Inp	3099.00		NIST
Inp	3099.00		NIST
Tboil	1003.17	K	Joback Calculated Property
Tc	1228.58	K	Joback Calculated Property
Tfus	616.41	K	Joback Calculated Property
Vc	1.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.43; 1236.00]	J/mol×K	[1003.17; 1228.58]
Cp,gas	1165.43	J/mol×K	1003.17	Joback Calculated Property
Cp,gas	1180.55	J/mol×K	1040.74	Joback Calculated Property
Cp,gas	1194.27	J/mol×K	1078.31	Joback Calculated Property
Cp,gas	1206.62	J/mol×K	1115.87	Joback Calculated Property
Cp,gas	1217.65	J/mol×K	1153.44	Joback Calculated Property
Cp,gas	1227.43	J/mol×K	1191.01	Joback Calculated Property
Cp,gas	1236.00	J/mol×K	1228.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-bromo-5-fluorobenzyl heptyl ester.

Sources

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

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