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

InChI

InChI=1S/C17H21ClO4/c1-12(2)9-10-21-16(19)5-4-6-17(20)22-15-8-7-14(18)11-13(15)3/h7-9,11H,4-6,10H2,1-3H3

InChI Key

MKVNJVMYDAPJLP-UHFFFAOYSA-N

Formula

C17H21ClO4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

324.80

• 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	0.7894		Relay (1.0) Calculated Property
ΔfG°	-222.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.71	kJ/mol	Joback Calculated Property
ΔvapH°	95.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.234		Crippen Calculated Property
McVol	249.450	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[2349.00; 2349.00]
Inp	2349.00		NIST
Inp	2349.00		NIST
Tboil	629.01	K	Relay (1.0) Calculated Property
Tc	832.85	K	Relay (1.0) Calculated Property
Tfus	314.96	K	Relay (1.0) Calculated Property
Vc	0.896	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.81; 772.43]	J/mol×K	[819.05; 1032.09]
Cp,gas	703.81	J/mol×K	819.05	Joback Calculated Property
Cp,gas	717.65	J/mol×K	854.56	Joback Calculated Property
Cp,gas	730.50	J/mol×K	890.06	Joback Calculated Property
Cp,gas	742.37	J/mol×K	925.57	Joback Calculated Property
Cp,gas	753.30	J/mol×K	961.08	Joback Calculated Property
Cp,gas	763.31	J/mol×K	996.59	Joback Calculated Property
Cp,gas	772.43	J/mol×K	1032.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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