Chemical Properties of 2-Ethylbutyric acid, 4-chlorophenyl ester

InChI

InChI=1S/C12H15ClO2/c1-3-9(4-2)12(14)15-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3

InChI Key

KELFKEIDEDFIPX-UHFFFAOYSA-N

Formula

C12H15ClO2

SMILES

CCC(CC)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

226.70

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.53	kJ/mol	Joback Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.682		Crippen Calculated Property
McVol	175.860	ml/mol	McGowan Calculated Property
Inp	[1516.00; 1579.00]
Inp	1516.00		NIST
Inp	1579.00		NIST
Tboil	534.48	K	Relay (1.0) Calculated Property
Tfus	283.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[234.77; 533.77]	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			8.99200e+00
Coefficient B			9.63340e-01
Coefficient C			-5.22160e-04
Coefficient D			8.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.77	J/mol×K	273.00	Calculated Property
Cp,gas	288.15	J/mol×K	353.78	Calculated Property
Cp,gas	335.87	J/mol×K	434.56	Calculated Property
Cp,gas	378.21	J/mol×K	515.33	Calculated Property
Cp,gas	415.41	J/mol×K	596.11	Calculated Property
Cp,gas	447.75	J/mol×K	676.89	Calculated Property
Cp,gas	475.49	J/mol×K	757.67	Calculated Property
Cp,gas	498.90	J/mol×K	838.44	Calculated Property
Cp,gas	518.24	J/mol×K	919.22	Calculated Property
Cp,gas	533.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027451; 0.0001762]	Pa×s	[321.19; 569.81]	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			-1.21914e+01
Coefficient B			2.02138e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			321.19
Temperature range, max.			569.81
η	0.0027451	Pa×s	321.19	Calculated Property
η	0.0016676	Pa×s	348.81	Calculated Property
η	0.0010899	Pa×s	376.44	Calculated Property
η	0.0007550	Pa×s	404.06	Calculated Property
η	0.0005482	Pa×s	431.69	Calculated Property
η	0.0004137	Pa×s	459.31	Calculated Property
η	0.0003223	Pa×s	486.94	Calculated Property
η	0.0002579	Pa×s	514.56	Calculated Property
η	0.0002111	Pa×s	542.19	Calculated Property
η	0.0001762	Pa×s	569.81	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 4-chlorophenyl 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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