Chemical Properties of Glutaric acid, but-3-yl-2-yn 4-bromophenyl ester

InChI

InChI=1S/C15H15BrO4/c1-3-11(2)19-14(17)5-4-6-15(18)20-13-9-7-12(16)8-10-13/h1,7-11H,4-6H2,2H3

InChI Key

ZNUQBOCKIUAPJT-UHFFFAOYSA-N

Formula

C15H15BrO4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

339.18

• 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	0.7003		Relay (1.0) Calculated Property
ΔfG°	-54.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.57	kJ/mol	Joback Calculated Property
ΔvapH°	92.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	3.090		Crippen Calculated Property
McVol	222.230	ml/mol	McGowan Calculated Property
Pc	2438.65	kPa	Joback Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	629.20	K	Relay (1.0) Calculated Property
Tc	831.95	K	Relay (1.0) Calculated Property
Tfus	346.15	K	Relay (1.0) Calculated Property
Vc	0.766	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.47; 640.74]	J/mol×K	[782.68; 1010.89]
Cp,gas	580.47	J/mol×K	782.68	Joback Calculated Property
Cp,gas	592.88	J/mol×K	820.72	Joback Calculated Property
Cp,gas	604.30	J/mol×K	858.75	Joback Calculated Property
Cp,gas	614.76	J/mol×K	896.79	Joback Calculated Property
Cp,gas	624.30	J/mol×K	934.82	Joback Calculated Property
Cp,gas	632.95	J/mol×K	972.86	Joback Calculated Property
Cp,gas	640.74	J/mol×K	1010.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yl-2-yn 4-bromophenyl ester.

Sources

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

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