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

InChI

InChI=1S/C17H23BrO5/c1-11(2)12(3)22-16(19)6-5-7-17(20)23-14-9-8-13(18)10-15(14)21-4/h8-12H,5-7H2,1-4H3

InChI Key

HGUCGTFGSMQFSA-UHFFFAOYSA-N

Formula

C17H23BrO5

SMILES

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

Molecular Weight¹

387.27

• 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	0.8672		Relay (1.0) Calculated Property
ΔfG°	-377.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-902.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.05	kJ/mol	Joback Calculated Property
ΔvapH°	94.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	4.121		Crippen Calculated Property
McVol	264.880	ml/mol	McGowan Calculated Property
Pc	1752.14	kPa	Joback Calculated Property
Inp	[2436.00; 2436.00]
Inp	2436.00		NIST
Inp	2436.00		NIST
Tboil	640.61	K	Relay (1.0) Calculated Property
Tc	844.60	K	Relay (1.0) Calculated Property
Tfus	340.24	K	Relay (1.0) Calculated Property
Vc	0.946	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[771.27; 834.18]	J/mol×K	[865.28; 1081.52]
Cp,gas	771.27	J/mol×K	865.28	Joback Calculated Property
Cp,gas	784.71	J/mol×K	901.32	Joback Calculated Property
Cp,gas	796.97	J/mol×K	937.36	Joback Calculated Property
Cp,gas	808.04	J/mol×K	973.40	Joback Calculated Property
Cp,gas	817.93	J/mol×K	1009.44	Joback Calculated Property
Cp,gas	826.64	J/mol×K	1045.48	Joback Calculated Property
Cp,gas	834.18	J/mol×K	1081.52	Joback Calculated Property
η	[0.0000423; 0.0004004]	Pa×s	[529.16; 865.28]
η	0.0004004	Pa×s	529.16	Joback Calculated Property
η	0.0002301	Pa×s	585.18	Joback Calculated Property
η	0.0001457	Pa×s	641.20	Joback Calculated Property
η	0.0000993	Pa×s	697.22	Joback Calculated Property
η	0.0000716	Pa×s	753.24	Joback Calculated Property
η	0.0000541	Pa×s	809.26	Joback Calculated Property
η	0.0000423	Pa×s	865.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-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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