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

InChI

InChI=1S/C15H15ClO4/c1-3-11(2)19-14(17)9-6-10-15(18)20-13-8-5-4-7-12(13)16/h1,4-5,7-8,11H,6,9-10H2,2H3

InChI Key

RAWGXOPRUIQTHU-UHFFFAOYSA-N

Formula

C15H15ClO4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1Cl

Molecular Weight¹

294.73

• 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	0.6789		Relay (1.0) Calculated Property
ΔfG°	-80.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.48	kJ/mol	Joback Calculated Property
ΔvapH°	90.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.981		Crippen Calculated Property
McVol	216.970	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[2004.00; 2004.00]
Inp	2004.00		NIST
Inp	2004.00		NIST
Tboil	594.80	K	Relay (1.0) Calculated Property
Tc	819.58	K	Relay (1.0) Calculated Property
Tfus	332.29	K	Relay (1.0) Calculated Property
Vc	0.763	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.69; 632.77]	J/mol×K	[753.95; 975.25]
Cp,gas	569.69	J/mol×K	753.95	Joback Calculated Property
Cp,gas	582.57	J/mol×K	790.83	Joback Calculated Property
Cp,gas	594.47	J/mol×K	827.72	Joback Calculated Property
Cp,gas	605.42	J/mol×K	864.60	Joback Calculated Property
Cp,gas	615.44	J/mol×K	901.48	Joback Calculated Property
Cp,gas	624.55	J/mol×K	938.37	Joback Calculated Property
Cp,gas	632.77	J/mol×K	975.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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