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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.01	kJ/mol	Joback Calculated Property
logPoct/wat	4.840		Crippen Calculated Property
McVol	245.750	ml/mol	McGowan Calculated Property
Inp	[2286.00; 2286.00]
Inp	2286.00		NIST
Inp	2286.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.85; 678.60]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.30630e+01
Coefficient B			1.06812e+00
Coefficient C			-5.20380e-04
Coefficient D			4.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.85	J/mol×K	273.00	Calculated Property
Cp,gas	397.93	J/mol×K	353.78	Calculated Property
Cp,gas	452.88	J/mol×K	434.56	Calculated Property
Cp,gas	501.85	J/mol×K	515.33	Calculated Property
Cp,gas	544.99	J/mol×K	596.11	Calculated Property
Cp,gas	582.46	J/mol×K	676.89	Calculated Property
Cp,gas	614.40	J/mol×K	757.67	Calculated Property
Cp,gas	640.97	J/mol×K	838.44	Calculated Property
Cp,gas	662.32	J/mol×K	919.22	Calculated Property
Cp,gas	678.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006300; 0.0000869]	Pa×s	[480.45; 719.02]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33404e+01
Coefficient B			2.86854e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			480.45
Temperature range, max.			719.02
η	0.0006300	Pa×s	480.45	Calculated Property
η	0.0004610	Pa×s	506.96	Calculated Property
η	0.0003480	Pa×s	533.47	Calculated Property
η	0.0002698	Pa×s	559.97	Calculated Property
η	0.0002141	Pa×s	586.48	Calculated Property
η	0.0001732	Pa×s	612.99	Calculated Property
η	0.0001427	Pa×s	639.50	Calculated Property
η	0.0001194	Pa×s	666.01	Calculated Property
η	0.0001012	Pa×s	692.52	Calculated Property
η	0.0000869	Pa×s	719.02	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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