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

InChI

InChI=1S/C16H19ClO4/c1-12(2)9-10-20-15(18)7-4-8-16(19)21-14-6-3-5-13(17)11-14/h3,5-6,9,11H,4,7-8,10H2,1-2H3

InChI Key

BQZFTEJHXQCXQV-UHFFFAOYSA-N

Formula

C16H19ClO4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

310.77

• 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).
• 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
ΔfG°	-221.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-546.42	kJ/mol	Joback Calculated Property
ΔfusH°	39.51	kJ/mol	Joback Calculated Property
ΔvapH°	76.88	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	3.925		Crippen Calculated Property
McVol	235.360	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[2243.00; 2243.00]
Inp	2243.00		NIST
Inp	2243.00		NIST
Tboil	791.19	K	Joback Calculated Property
Tc	1005.30	K	Joback Calculated Property
Tfus	464.22	K	Joback Calculated Property
Vc	0.901	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.26; 716.96]	J/mol×K	[791.19; 1005.30]
Cp,gas	649.26	J/mol×K	791.19	Joback Calculated Property
Cp,gas	662.89	J/mol×K	826.88	Joback Calculated Property
Cp,gas	675.54	J/mol×K	862.56	Joback Calculated Property
Cp,gas	687.25	J/mol×K	898.25	Joback Calculated Property
Cp,gas	698.03	J/mol×K	933.93	Joback Calculated Property
Cp,gas	707.93	J/mol×K	969.62	Joback Calculated Property
Cp,gas	716.96	J/mol×K	1005.30	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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