Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester

InChI

InChI=1S/C15H13Cl3O4/c1-3-9(2)21-13(19)5-4-6-14(20)22-15-11(17)7-10(16)8-12(15)18/h1,7-9H,4-6H2,2H3

InChI Key

CAYARHVETACCTP-UHFFFAOYSA-N

Formula

C15H13Cl3O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

363.62

• 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°	-124.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.01	kJ/mol	Joback Calculated Property
ΔfusH°	45.10	kJ/mol	Joback Calculated Property
ΔvapH°	84.18	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.287		Crippen Calculated Property
McVol	241.450	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[2281.00; 2281.00]
Inp	2281.00		NIST
Inp	2281.00		NIST
Tboil	838.77	K	Joback Calculated Property
Tc	1067.32	K	Joback Calculated Property
Tfus	588.84	K	Joback Calculated Property
Vc	0.918	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.69; 659.01]	J/mol×K	[838.77; 1067.32]
Cp,gas	610.69	J/mol×K	838.77	Joback Calculated Property
Cp,gas	621.10	J/mol×K	876.86	Joback Calculated Property
Cp,gas	630.55	J/mol×K	914.95	Joback Calculated Property
Cp,gas	639.05	J/mol×K	953.05	Joback Calculated Property
Cp,gas	646.62	J/mol×K	991.14	Joback Calculated Property
Cp,gas	653.27	J/mol×K	1029.23	Joback Calculated Property
Cp,gas	659.01	J/mol×K	1067.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester.

Sources

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

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