Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C18H16BrClO5/c1-11-9-13(4-5-14(11)20)24-17(21)7-8-18(22)25-15-6-3-12(19)10-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3

InChI Key

LKQDVPUELRSKTC-UHFFFAOYSA-N

Formula

C18H16BrClO5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

427.67

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9094		Relay (1.0) Calculated Property
ΔfG°	-283.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.15	kJ/mol	Joback Calculated Property
ΔvapH°	114.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-5.92		Relay (1.0) Calculated Property
logPoct/wat	4.711		Crippen Calculated Property
McVol	267.450	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[3052.00; 3052.00]
Inp	3052.00		NIST
Inp	3052.00		NIST
Tboil	680.20	K	Relay (1.0) Calculated Property
Tc	947.94	K	Relay (1.0) Calculated Property
Tfus	379.04	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.92; 777.02]	J/mol×K	[963.11; 1204.54]
Cp,gas	740.92	J/mol×K	963.11	Joback Calculated Property
Cp,gas	750.37	J/mol×K	1003.35	Joback Calculated Property
Cp,gas	758.43	J/mol×K	1043.59	Joback Calculated Property
Cp,gas	765.12	J/mol×K	1083.83	Joback Calculated Property
Cp,gas	770.45	J/mol×K	1124.06	Joback Calculated Property
Cp,gas	774.41	J/mol×K	1164.30	Joback Calculated Property
Cp,gas	777.02	J/mol×K	1204.54	Joback Calculated Property
η	[0.0000400; 0.0001939]	Pa×s	[651.81; 963.11]
η	0.0001939	Pa×s	651.81	Joback Calculated Property
η	0.0001353	Pa×s	703.69	Joback Calculated Property
η	0.0000992	Pa×s	755.58	Joback Calculated Property
η	0.0000757	Pa×s	807.46	Joback Calculated Property
η	0.0000597	Pa×s	859.34	Joback Calculated Property
η	0.0000483	Pa×s	911.23	Joback Calculated Property
η	0.0000400	Pa×s	963.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 4-bromo-2-methoxyphenyl ester.

Sources

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

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