Chemical Properties of 2-Ethylbutyric acid, 2,3,6-trichlorophenyl ester

InChI

InChI=1S/C12H13Cl3O2/c1-3-7(4-2)12(16)17-11-9(14)6-5-8(13)10(11)15/h5-7H,3-4H2,1-2H3

InChI Key

SKBYZFGVQZKWAE-UHFFFAOYSA-N

Formula

C12H13Cl3O2

SMILES

CCC(CC)C(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

295.59

• 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°	33.15	kJ/mol	Joback Calculated Property
logPoct/wat	4.988		Crippen Calculated Property
McVol	200.340	ml/mol	McGowan Calculated Property
Inp	[1859.00; 1859.00]
Inp	1859.00		NIST
Inp	1859.00		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	[266.68; 544.23]	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			6.33720e+01
Coefficient B			8.57940e-01
Coefficient C			-4.28880e-04
Coefficient D			5.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.68	J/mol×K	273.00	Calculated Property
Cp,gas	315.51	J/mol×K	353.78	Calculated Property
Cp,gas	359.46	J/mol×K	434.56	Calculated Property
Cp,gas	398.69	J/mol×K	515.33	Calculated Property
Cp,gas	433.37	J/mol×K	596.11	Calculated Property
Cp,gas	463.66	J/mol×K	676.89	Calculated Property
Cp,gas	489.73	J/mol×K	757.67	Calculated Property
Cp,gas	511.74	J/mol×K	838.44	Calculated Property
Cp,gas	529.85	J/mol×K	919.22	Calculated Property
Cp,gas	544.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011630; 0.0001560]	Pa×s	[406.07; 635.18]	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			-1.23260e+01
Coefficient B			2.26150e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			406.07
Temperature range, max.			635.18
η	0.0011630	Pa×s	406.07	Calculated Property
η	0.0008373	Pa×s	431.53	Calculated Property
η	0.0006253	Pa×s	456.98	Calculated Property
η	0.0004816	Pa×s	482.44	Calculated Property
η	0.0003808	Pa×s	507.89	Calculated Property
η	0.0003079	Pa×s	533.35	Calculated Property
η	0.0002538	Pa×s	558.81	Calculated Property
η	0.0002128	Pa×s	584.26	Calculated Property
η	0.0001810	Pa×s	609.72	Calculated Property
η	0.0001560	Pa×s	635.18	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2,3,6-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

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