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

InChI

InChI=1S/C17H22BrFO4/c1-3-4-5-6-12(2)22-16(20)9-10-17(21)23-15-8-7-13(19)11-14(15)18/h7-8,11-12H,3-6,9-10H2,1-2H3

InChI Key

ZLTVXDUMYUGWKI-UHFFFAOYSA-N

Formula

C17H22BrFO4

SMILES

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

Molecular Weight¹

389.26

• 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°	-465.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-845.28	kJ/mol	Joback Calculated Property
ΔfusH°	43.46	kJ/mol	Joback Calculated Property
ΔvapH°	80.58	kJ/mol	Joback Calculated Property
log10WS	-6.02		Crippen Calculated Property
logPoct/wat	4.786		Crippen Calculated Property
McVol	260.780	ml/mol	McGowan Calculated Property
Pc	1700.50	kPa	Joback Calculated Property
Inp	[2259.00; 2259.00]
Inp	2259.00		NIST
Inp	2259.00		NIST
Tboil	842.57	K	Joback Calculated Property
Tc	1051.01	K	Joback Calculated Property
Tfus	522.52	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.90; 816.24]	J/mol×K	[842.57; 1051.01]
Cp,gas	750.90	J/mol×K	842.57	Joback Calculated Property
Cp,gas	764.28	J/mol×K	877.31	Joback Calculated Property
Cp,gas	776.64	J/mol×K	912.05	Joback Calculated Property
Cp,gas	787.99	J/mol×K	946.79	Joback Calculated Property
Cp,gas	798.36	J/mol×K	981.53	Joback Calculated Property
Cp,gas	807.77	J/mol×K	1016.27	Joback Calculated Property
Cp,gas	816.24	J/mol×K	1051.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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