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

InChI

InChI=1S/C17H21BrO5/c1-12(2)9-10-22-16(19)5-4-6-17(20)23-14-8-7-13(18)11-15(14)21-3/h7-9,11H,4-6,10H2,1-3H3

InChI Key

BTYZZBCXLBNKHY-UHFFFAOYSA-N

Formula

C17H21BrO5

SMILES

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

Molecular Weight¹

385.25

• 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°	-301.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-668.68	kJ/mol	Joback Calculated Property
ΔfusH°	43.99	kJ/mol	Joback Calculated Property
ΔvapH°	84.23	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	4.043		Crippen Calculated Property
McVol	260.580	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[2551.00; 2551.00]
Inp	2551.00		NIST
Inp	2551.00		NIST
Tboil	870.20	K	Joback Calculated Property
Tc	1088.88	K	Joback Calculated Property
Tfus	540.12	K	Joback Calculated Property
Vc	0.989	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.42; 804.18]	J/mol×K	[870.20; 1088.88]
Cp,gas	742.42	J/mol×K	870.20	Joback Calculated Property
Cp,gas	755.32	J/mol×K	906.65	Joback Calculated Property
Cp,gas	767.14	J/mol×K	943.09	Joback Calculated Property
Cp,gas	777.92	J/mol×K	979.54	Joback Calculated Property
Cp,gas	787.68	J/mol×K	1015.99	Joback Calculated Property
Cp,gas	796.42	J/mol×K	1052.43	Joback Calculated Property
Cp,gas	804.18	J/mol×K	1088.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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