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

InChI

InChI=1S/C15H14Cl2O4/c1-3-10(2)20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h1,4,6-7,10H,5,8-9H2,2H3

InChI Key

QVRXLWSZMXAFFR-UHFFFAOYSA-N

Formula

C15H14Cl2O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

329.18

• 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	0.7103		Relay (1.0) Calculated Property
ΔfG°	-102.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.29	kJ/mol	Joback Calculated Property
ΔvapH°	94.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.634		Crippen Calculated Property
McVol	229.210	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[2173.00; 2173.00]
Inp	2173.00		NIST
Inp	2173.00		NIST
Tboil	596.34	K	Relay (1.0) Calculated Property
Tc	840.44	K	Relay (1.0) Calculated Property
Tfus	349.19	K	Relay (1.0) Calculated Property
Vc	0.801	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.18; 646.89]	J/mol×K	[796.36; 1021.30]
Cp,gas	591.18	J/mol×K	796.36	Joback Calculated Property
Cp,gas	602.81	J/mol×K	833.85	Joback Calculated Property
Cp,gas	613.49	J/mol×K	871.34	Joback Calculated Property
Cp,gas	623.21	J/mol×K	908.83	Joback Calculated Property
Cp,gas	632.01	J/mol×K	946.32	Joback Calculated Property
Cp,gas	639.90	J/mol×K	983.81	Joback Calculated Property
Cp,gas	646.89	J/mol×K	1021.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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