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

• 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	0.6218		Relay (1.0) Calculated Property
ΔfG°	-231.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-680.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.14	kJ/mol	Joback Calculated Property
ΔvapH°	80.24	kJ/mol	Relay (1.0) Calculated Property
IE	10.33	eV	Relay (1.0) Calculated Property
log10WS	-2.70		Relay (1.0) Calculated Property
logPoct/wat	2.068		Crippen Calculated Property
McVol	196.610	ml/mol	McGowan Calculated Property
Pc	2284.95	kPa	Joback Calculated Property
Inp	[1699.00; 1699.00]
Inp	1699.00		NIST
Inp	1699.00		NIST
Tboil	557.61	K	Relay (1.0) Calculated Property
Tc	746.48	K	Relay (1.0) Calculated Property
Tfus	325.70	K	Relay (1.0) Calculated Property
Vc	0.686	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.00; 536.15]	J/mol×K	[667.76; 871.39]
Cp,gas	476.00	J/mol×K	667.76	Joback Calculated Property
Cp,gas	487.74	J/mol×K	701.70	Joback Calculated Property
Cp,gas	498.78	J/mol×K	735.64	Joback Calculated Property
Cp,gas	509.14	J/mol×K	769.57	Joback Calculated Property
Cp,gas	518.81	J/mol×K	803.51	Joback Calculated Property
Cp,gas	527.82	J/mol×K	837.45	Joback Calculated Property
Cp,gas	536.15	J/mol×K	871.39	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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