Chemical Properties of Glutaric acid, hex-2-en-1-yl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C17H19Cl3O4/c1-2-3-4-5-9-23-15(21)7-6-8-16(22)24-17-13(19)10-12(18)11-14(17)20/h4-5,10-11H,2-3,6-9H2,1H3/b5-4+

InChI Key

DESJEODIQCNWBB-SNAWJCMRSA-N

Formula

C17H19Cl3O4

SMILES

CCCC=CCOC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

393.69

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-247.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.69	kJ/mol	Joback Calculated Property
ΔfusH°	51.03	kJ/mol	Joback Calculated Property
ΔvapH°	89.12	kJ/mol	Joback Calculated Property
log10WS	-6.32		Crippen Calculated Property
logPoct/wat	5.622		Crippen Calculated Property
McVol	273.930	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[2578.00; 2578.00]
Inp	2578.00		NIST
Inp	2578.00		NIST
Tboil	899.01	K	Joback Calculated Property
Tc	1118.59	K	Joback Calculated Property
Tfus	574.33	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.89; 803.09]	J/mol×K	[899.01; 1118.59]
Cp,gas	748.89	J/mol×K	899.01	Joback Calculated Property
Cp,gas	760.30	J/mol×K	935.61	Joback Calculated Property
Cp,gas	770.72	J/mol×K	972.20	Joback Calculated Property
Cp,gas	780.19	J/mol×K	1008.80	Joback Calculated Property
Cp,gas	788.72	J/mol×K	1045.40	Joback Calculated Property
Cp,gas	796.34	J/mol×K	1082.00	Joback Calculated Property
Cp,gas	803.09	J/mol×K	1118.59	Joback Calculated Property
η	[0.0000484; 0.0003225]	Pa×s	[574.33; 899.01]
η	0.0003225	Pa×s	574.33	Joback Calculated Property
η	0.0002051	Pa×s	628.44	Joback Calculated Property
η	0.0001402	Pa×s	682.56	Joback Calculated Property
η	0.0001013	Pa×s	736.67	Joback Calculated Property
η	0.0000766	Pa×s	790.78	Joback Calculated Property
η	0.0000600	Pa×s	844.90	Joback Calculated Property
η	0.0000484	Pa×s	899.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-2-en-1-yl 2,4,6-trichlorophenyl ester.

Sources

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

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