Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C16H17Cl3O4/c1-10(2)6-7-22-14(20)4-3-5-15(21)23-13-9-11(17)8-12(18)16(13)19/h6,8-9H,3-5,7H2,1-2H3

InChI Key

WLLUXPJYISLAHX-UHFFFAOYSA-N

Formula

C16H17Cl3O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

379.66

• 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°	-264.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.84	kJ/mol	Joback Calculated Property
ΔfusH°	47.13	kJ/mol	Joback Calculated Property
ΔvapH°	86.98	kJ/mol	Joback Calculated Property
log10WS	-5.91		Crippen Calculated Property
logPoct/wat	5.232		Crippen Calculated Property
McVol	259.840	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2546.00; 2546.00]
Inp	2546.00		NIST
Inp	2546.00		NIST
Tboil	876.01	K	Joback Calculated Property
Tc	1098.62	K	Joback Calculated Property
Tfus	549.10	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[692.32; 745.76]	J/mol×K	[876.01; 1098.62]
Cp,gas	692.32	J/mol×K	876.01	Joback Calculated Property
Cp,gas	703.55	J/mol×K	913.11	Joback Calculated Property
Cp,gas	713.82	J/mol×K	950.21	Joback Calculated Property
Cp,gas	723.15	J/mol×K	987.31	Joback Calculated Property
Cp,gas	731.57	J/mol×K	1024.42	Joback Calculated Property
Cp,gas	739.10	J/mol×K	1061.52	Joback Calculated Property
Cp,gas	745.76	J/mol×K	1098.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,3,5-trichlorophenyl ester.

Sources

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

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