Chemical Properties of Succinic acid, 2,2-dichloroethyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C13H13BrCl2O5/c1-19-10-6-8(14)2-3-9(10)21-13(18)5-4-12(17)20-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3

InChI Key

AYZQEKNFFHVXEF-UHFFFAOYSA-N

Formula

C13H13BrCl2O5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

400.05

• 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).
• 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°	-433.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-730.31	kJ/mol	Joback Calculated Property
ΔfusH°	39.61	kJ/mol	Joback Calculated Property
ΔvapH°	83.67	kJ/mol	Joback Calculated Property
log10WS	-4.52		Crippen Calculated Property
logPoct/wat	3.490		Crippen Calculated Property
McVol	233.000	ml/mol	McGowan Calculated Property
Pc	2295.91	kPa	Joback Calculated Property
Inp	[2551.00; 2551.00]
Inp	2551.00		NIST
Inp	2551.00		NIST
Tboil	849.06	K	Joback Calculated Property
Tc	1076.28	K	Joback Calculated Property
Tfus	558.92	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.72; 635.72]	J/mol×K	[849.06; 1076.28]
Cp,gas	591.72	J/mol×K	849.06	Joback Calculated Property
Cp,gas	601.62	J/mol×K	886.93	Joback Calculated Property
Cp,gas	610.51	J/mol×K	924.80	Joback Calculated Property
Cp,gas	618.36	J/mol×K	962.67	Joback Calculated Property
Cp,gas	625.18	J/mol×K	1000.54	Joback Calculated Property
Cp,gas	630.97	J/mol×K	1038.41	Joback Calculated Property
Cp,gas	635.72	J/mol×K	1076.28	Joback Calculated Property
η	[0.0000605; 0.0003763]	Pa×s	[558.92; 849.06]
η	0.0003763	Pa×s	558.92	Joback Calculated Property
η	0.0002458	Pa×s	607.28	Joback Calculated Property
η	0.0001710	Pa×s	655.63	Joback Calculated Property
η	0.0001250	Pa×s	703.99	Joback Calculated Property
η	0.0000951	Pa×s	752.35	Joback Calculated Property
η	0.0000748	Pa×s	800.70	Joback Calculated Property
η	0.0000605	Pa×s	849.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 4-bromo-2-methoxyphenyl ester.

Sources

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

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