Chemical Properties of Glutaric acid, but-3-en-2-yl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C15H15Cl3O4/c1-3-9(2)21-13(19)5-4-6-14(20)22-15-11(17)7-10(16)8-12(15)18/h3,7-9H,1,4-6H2,2H3

InChI Key

RCMYEMACHAKHBA-UHFFFAOYSA-N

Formula

C15H15Cl3O4

SMILES

C=CC(C)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

365.64

• 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°	-259.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.48	kJ/mol	Joback Calculated Property
ΔfusH°	40.84	kJ/mol	Joback Calculated Property
ΔvapH°	83.66	kJ/mol	Joback Calculated Property
log10WS	-5.60		Crippen Calculated Property
logPoct/wat	4.840		Crippen Calculated Property
McVol	245.750	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[2286.00; 2286.00]
Inp	2286.00		NIST
Inp	2286.00		NIST
Tboil	845.33	K	Joback Calculated Property
Tc	1066.87	K	Joback Calculated Property
Tfus	540.11	K	Joback Calculated Property
Vc	0.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.38; 689.12]	J/mol×K	[845.33; 1066.87]
Cp,gas	638.38	J/mol×K	845.33	Joback Calculated Property
Cp,gas	649.25	J/mol×K	882.25	Joback Calculated Property
Cp,gas	659.14	J/mol×K	919.18	Joback Calculated Property
Cp,gas	668.06	J/mol×K	956.10	Joback Calculated Property
Cp,gas	676.03	J/mol×K	993.02	Joback Calculated Property
Cp,gas	683.04	J/mol×K	1029.95	Joback Calculated Property
Cp,gas	689.12	J/mol×K	1066.87	Joback Calculated Property
η	[0.0000721; 0.0004767]	Pa×s	[540.11; 845.33]
η	0.0004767	Pa×s	540.11	Joback Calculated Property
η	0.0003038	Pa×s	590.98	Joback Calculated Property
η	0.0002080	Pa×s	641.85	Joback Calculated Property
η	0.0001505	Pa×s	692.72	Joback Calculated Property
η	0.0001139	Pa×s	743.59	Joback Calculated Property
η	0.0000893	Pa×s	794.46	Joback Calculated Property
η	0.0000721	Pa×s	845.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 2,4,6-trichlorophenyl ester.

Sources

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

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