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

InChI

InChI=1S/C16H19BrO4/c1-12(2)10-11-20-15(18)4-3-5-16(19)21-14-8-6-13(17)7-9-14/h6-10H,3-5,11H2,1-2H3

InChI Key

KCMDEFRQPOZZSB-UHFFFAOYSA-N

Formula

C16H19BrO4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

355.22

• 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°	-195.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.35	kJ/mol	Joback Calculated Property
ΔfusH°	40.60	kJ/mol	Joback Calculated Property
ΔvapH°	78.93	kJ/mol	Joback Calculated Property
log10WS	-5.01		Crippen Calculated Property
logPoct/wat	4.034		Crippen Calculated Property
McVol	240.620	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[2392.00; 2392.00]
Inp	2392.00		NIST
Inp	2392.00		NIST
Tboil	819.92	K	Joback Calculated Property
Tc	1040.54	K	Joback Calculated Property
Tfus	494.10	K	Joback Calculated Property
Vc	0.914	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.91; 726.11]	J/mol×K	[819.92; 1040.54]
Cp,gas	660.91	J/mol×K	819.92	Joback Calculated Property
Cp,gas	674.08	J/mol×K	856.69	Joback Calculated Property
Cp,gas	686.27	J/mol×K	893.46	Joback Calculated Property
Cp,gas	697.54	J/mol×K	930.23	Joback Calculated Property
Cp,gas	707.90	J/mol×K	967.00	Joback Calculated Property
Cp,gas	717.41	J/mol×K	1003.77	Joback Calculated Property
Cp,gas	726.11	J/mol×K	1040.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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