Chemical Properties of Glutaric acid, but-3-yn-2-yl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C16H17ClO4/c1-4-12(3)20-15(18)6-5-7-16(19)21-14-10-11(2)8-9-13(14)17/h1,8-10,12H,5-7H2,2-3H3

InChI Key

FHMCLXANRRHSST-UHFFFAOYSA-N

Formula

C16H17ClO4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

308.76

• 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	0.7185		Relay (... Calculated Property
ΔfG°	-82.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-545.46	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.68	kJ/mol	Joback Calculated Property
ΔvapH°	91.93	kJ/mol	Relay (... Calculated Property
IE	8.54	eV	Relay (... Calculated Property
log10WS	-4.04		Relay (... Calculated Property
logPoct/wat	3.289		Crippen Calculated Property
McVol	231.060	ml/mol	McGowan Calculated Property
Pc	1989.43	kPa	Joback Calculated Property
Inp	[2149.00; 2149.00]
Inp	2149.00		NIST
Inp	2149.00		NIST
Tboil	610.89	K	Relay (... Calculated Property
Tc	827.37	K	Relay (... Calculated Property
Tfus	339.83	K	Relay (... Calculated Property
Vc	0.817	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.18; 686.53]	J/mol×K	[781.81; 1000.88]
Cp,gas	622.18	J/mol×K	781.81	Joback Calculated Property
Cp,gas	635.33	J/mol×K	818.32	Joback Calculated Property
Cp,gas	647.48	J/mol×K	854.83	Joback Calculated Property
Cp,gas	658.67	J/mol×K	891.34	Joback Calculated Property
Cp,gas	668.89	J/mol×K	927.86	Joback Calculated Property
Cp,gas	678.18	J/mol×K	964.37	Joback Calculated Property
Cp,gas	686.53	J/mol×K	1000.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2-chloro-5-methylphenyl ester.

Sources

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

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