Chemical Properties of Succinic acid, dec-2-yl 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C20H28BrFO4/c1-3-4-5-6-7-8-9-15(2)25-19(23)12-13-20(24)26-18-11-10-16(22)14-17(18)21/h10-11,14-15H,3-9,12-13H2,1-2H3

InChI Key

MDOVKFQFZBKZGA-UHFFFAOYSA-N

Formula

C20H28BrFO4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1ccc(F)cc1Br

Molecular Weight¹

431.34

• 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°	-440.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-907.20	kJ/mol	Joback Calculated Property
ΔfusH°	51.23	kJ/mol	Joback Calculated Property
ΔvapH°	87.26	kJ/mol	Joback Calculated Property
log10WS	-7.28		Crippen Calculated Property
logPoct/wat	5.956		Crippen Calculated Property
McVol	303.050	ml/mol	McGowan Calculated Property
Pc	1358.63	kPa	Joback Calculated Property
Inp	[2570.00; 2570.00]
Inp	2570.00		NIST
Inp	2570.00		NIST
Tboil	911.21	K	Joback Calculated Property
Tc	1121.61	K	Joback Calculated Property
Tfus	556.33	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.82; 992.62]	J/mol×K	[911.21; 1121.61]
Cp,gas	924.82	J/mol×K	911.21	Joback Calculated Property
Cp,gas	938.91	J/mol×K	946.28	Joback Calculated Property
Cp,gas	951.84	J/mol×K	981.34	Joback Calculated Property
Cp,gas	963.65	J/mol×K	1016.41	Joback Calculated Property
Cp,gas	974.36	J/mol×K	1051.48	Joback Calculated Property
Cp,gas	984.01	J/mol×K	1086.55	Joback Calculated Property
Cp,gas	992.62	J/mol×K	1121.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 2-bromo-4-fluorophenyl ester.

Sources

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

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