Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,4,5-trichlorophenyl ester

InChI

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

InChI Key

FPJKVLBMLXMJKM-UHFFFAOYSA-N

Formula

C16H17Cl3O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

379.66

• 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	0.8231		Relay (1.0) Calculated Property
ΔfG°	-264.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-745.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.13	kJ/mol	Joback Calculated Property
ΔvapH°	103.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) 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	[2564.00; 2564.00]
Inp	2564.00		NIST
Inp	2564.00		NIST
Tboil	626.97	K	Relay (1.0) Calculated Property
Tc	874.50	K	Relay (1.0) Calculated Property
Tfus	346.41	K	Relay (1.0) Calculated Property
Vc	0.927	m3/kmol	Relay (1.0) 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 2,4,5-trichlorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.