Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dichlorophenyl ester

InChI

InChI=1S/C16H18Cl2O4/c1-11(2)8-9-21-15(19)4-3-5-16(20)22-14-7-6-12(17)10-13(14)18/h6-8,10H,3-5,9H2,1-2H3

InChI Key

OABSGEAUHDHAJA-UHFFFAOYSA-N

Formula

C16H18Cl2O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

345.22

• 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	0.7895		Relay (1.0) Calculated Property
ΔfG°	-243.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-719.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.32	kJ/mol	Joback Calculated Property
ΔvapH°	98.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.579		Crippen Calculated Property
McVol	247.600	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[2395.00; 2395.00]
Inp	2395.00		NIST
Inp	2395.00		NIST
Tboil	621.83	K	Relay (1.0) Calculated Property
Tc	844.36	K	Relay (1.0) Calculated Property
Tfus	323.86	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.81; 732.38]	J/mol×K	[833.60; 1051.90]
Cp,gas	671.81	J/mol×K	833.60	Joback Calculated Property
Cp,gas	684.23	J/mol×K	869.98	Joback Calculated Property
Cp,gas	695.68	J/mol×K	906.37	Joback Calculated Property
Cp,gas	706.19	J/mol×K	942.75	Joback Calculated Property
Cp,gas	715.80	J/mol×K	979.13	Joback Calculated Property
Cp,gas	724.52	J/mol×K	1015.52	Joback Calculated Property
Cp,gas	732.38	J/mol×K	1051.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dichlorophenyl ester.

Sources

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

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