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

InChI

InChI=1S/C11H14Cl2O4/c1-3-8(2)17-11(15)6-4-5-10(14)16-7-9(12)13/h1,8-9H,4-7H2,2H3

InChI Key

RONXAWQBQWRUJQ-UHFFFAOYSA-N

Formula

C11H14Cl2O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

281.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-680.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.31	kJ/mol	Joback Calculated Property
ΔvapH°	80.93	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.068		Crippen Calculated Property
McVol	196.610	ml/mol	McGowan Calculated Property
Inp	[1699.00; 1699.00]
Inp	1699.00		NIST
Inp	1699.00		NIST
Tc	749.44	K	Relay (1.0) Calculated Property
Tfus	320.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.29; 531.06]	J/mol×K	[631.82; 831.22]
Cp,gas	469.29	J/mol×K	631.82	Joback Calculated Property
Cp,gas	481.47	J/mol×K	665.05	Joback Calculated Property
Cp,gas	492.89	J/mol×K	698.29	Joback Calculated Property
Cp,gas	503.54	J/mol×K	731.52	Joback Calculated Property
Cp,gas	513.45	J/mol×K	764.75	Joback Calculated Property
Cp,gas	522.62	J/mol×K	797.98	Joback Calculated Property
Cp,gas	531.06	J/mol×K	831.22	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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