Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C16H19BrO5/c1-11(2)8-9-21-15(18)6-7-16(19)22-13-5-4-12(17)10-14(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3

InChI Key

PPRZUHPXGAGWLL-UHFFFAOYSA-N

Formula

C16H19BrO5

SMILES

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

Molecular Weight¹

371.22

• ω : Acentric Factor.
• 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).
• 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	0.8062		Relay (... Calculated Property
ΔfG°	-309.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-762.56	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.40	kJ/mol	Joback Calculated Property
ΔvapH°	97.44	kJ/mol	Relay (... Calculated Property
IE	7.99	eV	Relay (... Calculated Property
log10WS	-4.69		Relay (... Calculated Property
logPoct/wat	3.653		Crippen Calculated Property
McVol	246.490	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[2484.00; 2484.00]
Inp	2484.00		NIST
Inp	2484.00		NIST
Tboil	639.76	K	Relay (... Calculated Property
Tc	845.09	K	Relay (... Calculated Property
Tfus	341.61	K	Relay (... Calculated Property
Vc	0.872	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.01; 746.75]	J/mol×K	[847.32; 1067.43]
Cp,gas	686.01	J/mol×K	847.32	Joback Calculated Property
Cp,gas	698.65	J/mol×K	884.01	Joback Calculated Property
Cp,gas	710.27	J/mol×K	920.69	Joback Calculated Property
Cp,gas	720.87	J/mol×K	957.38	Joback Calculated Property
Cp,gas	730.47	J/mol×K	994.06	Joback Calculated Property
Cp,gas	739.09	J/mol×K	1030.75	Joback Calculated Property
Cp,gas	746.75	J/mol×K	1067.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester.

Sources

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

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