Chemical Properties of Butyric acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C10H10Cl2O2/c1-2-3-10(13)14-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3

InChI Key

GVUWGECOKPZWDC-UHFFFAOYSA-N

Formula

C10H10Cl2O2

SMILES

CCCC(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

233.09

• 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).
• 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

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, Ionization energy 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	[208.61; 435.28]	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			3.96820e+01
Coefficient B			7.14720e-01
Coefficient C			-3.63520e-04
Coefficient D			4.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.61	J/mol×K	273.00	Calculated Property
Cp,gas	249.00	J/mol×K	353.78	Calculated Property
Cp,gas	285.26	J/mol×K	434.56	Calculated Property
Cp,gas	317.54	J/mol×K	515.33	Calculated Property
Cp,gas	345.96	J/mol×K	596.11	Calculated Property
Cp,gas	370.68	J/mol×K	676.89	Calculated Property
Cp,gas	391.83	J/mol×K	757.67	Calculated Property
Cp,gas	409.55	J/mol×K	838.44	Calculated Property
Cp,gas	423.99	J/mol×K	919.22	Calculated Property
Cp,gas	435.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015760; 0.0002054]	Pa×s	[356.09; 573.25]	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			-1.18316e+01
Coefficient B			1.91530e+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.			356.09
Temperature range, max.			573.25
η	0.0015760	Pa×s	356.09	Calculated Property
η	0.0011203	Pa×s	380.22	Calculated Property
η	0.0008294	Pa×s	404.35	Calculated Property
η	0.0006352	Pa×s	428.48	Calculated Property
η	0.0005005	Pa×s	452.61	Calculated Property
η	0.0004040	Pa×s	476.73	Calculated Property
η	0.0003329	Pa×s	500.86	Calculated Property
η	0.0002793	Pa×s	524.99	Calculated Property
η	0.0002379	Pa×s	549.12	Calculated Property
η	0.0002054	Pa×s	573.25	Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 3,4-dichlorophenyl 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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