Chemical Properties of Succinic acid, 3-methylbut-2-yl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C15H17Cl3O4/c1-8(2)9(3)21-13(19)4-5-14(20)22-15-11(17)6-10(16)7-12(15)18/h6-9H,4-5H2,1-3H3

InChI Key

PQVFDIAUYQHIOI-UHFFFAOYSA-N

Formula

C15H17Cl3O4

SMILES

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

Molecular Weight¹

367.65

• 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°	41.76	kJ/mol	Joback Calculated Property
logPoct/wat	4.920		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Inp	[2241.00; 2241.00]
Inp	2241.00		NIST
Inp	2241.00		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	[346.34; 707.65]	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			8.43720e+01
Coefficient B			1.09406e+00
Coefficient C			-5.00680e-04
Coefficient D			2.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.34	J/mol×K	273.00	Calculated Property
Cp,gas	410.09	J/mol×K	353.78	Calculated Property
Cp,gas	467.71	J/mol×K	434.56	Calculated Property
Cp,gas	519.30	J/mol×K	515.33	Calculated Property
Cp,gas	564.97	J/mol×K	596.11	Calculated Property
Cp,gas	604.80	J/mol×K	676.89	Calculated Property
Cp,gas	638.89	J/mol×K	757.67	Calculated Property
Cp,gas	667.33	J/mol×K	838.44	Calculated Property
Cp,gas	690.22	J/mol×K	919.22	Calculated Property
Cp,gas	707.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007132; 0.0000760]	Pa×s	[467.21; 721.12]	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			-1.36059e+01
Coefficient B			2.97152e+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.			467.21
Temperature range, max.			721.12
η	0.0007132	Pa×s	467.21	Calculated Property
η	0.0004965	Pa×s	495.42	Calculated Property
η	0.0003594	Pa×s	523.63	Calculated Property
η	0.0002689	Pa×s	551.85	Calculated Property
η	0.0002069	Pa×s	580.06	Calculated Property
η	0.0001632	Pa×s	608.27	Calculated Property
η	0.0001314	Pa×s	636.48	Calculated Property
η	0.0001078	Pa×s	664.69	Calculated Property
η	0.0000898	Pa×s	692.91	Calculated Property
η	0.0000760	Pa×s	721.12	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-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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