Chemical Properties of 2-Chloropropionic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C9H7Cl3O2/c1-5(10)9(13)14-6-2-3-7(11)8(12)4-6/h2-5H,1H3

InChI Key

YFMJDVKPXPSLOQ-UHFFFAOYSA-N

Formula

C9H7Cl3O2

SMILES

CC(Cl)C(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

253.51

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.77	kJ/mol	Joback Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	3.526		Crippen Calculated Property
McVol	158.070	ml/mol	McGowan Calculated Property
Inp	[1610.00; 1610.00]
Inp	1610.00		NIST
Inp	1610.00		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 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	[200.49; 392.50]	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			5.18000e+01
Coefficient B			6.32420e-01
Coefficient C			-3.32720e-04
Coefficient D			4.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.49	J/mol×K	273.00	Calculated Property
Cp,gas	235.71	J/mol×K	353.78	Calculated Property
Cp,gas	267.16	J/mol×K	434.56	Calculated Property
Cp,gas	294.96	J/mol×K	515.33	Calculated Property
Cp,gas	319.25	J/mol×K	596.11	Calculated Property
Cp,gas	340.15	J/mol×K	676.89	Calculated Property
Cp,gas	357.80	J/mol×K	757.67	Calculated Property
Cp,gas	372.32	J/mol×K	838.44	Calculated Property
Cp,gas	383.84	J/mol×K	919.22	Calculated Property
Cp,gas	392.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017770; 0.0001940]	Pa×s	[359.74; 592.06]	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			-1.19766e+01
Coefficient B			2.03028e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			359.74
Temperature range, max.			592.06
η	0.0017770	Pa×s	359.74	Calculated Property
η	0.0012178	Pa×s	385.55	Calculated Property
η	0.0008751	Pa×s	411.37	Calculated Property
η	0.0006539	Pa×s	437.18	Calculated Property
η	0.0005047	Pa×s	463.00	Calculated Property
η	0.0004004	Pa×s	488.81	Calculated Property
η	0.0003251	Pa×s	514.62	Calculated Property
η	0.0002693	Pa×s	540.44	Calculated Property
η	0.0002269	Pa×s	566.25	Calculated Property
η	0.0001940	Pa×s	592.06	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloropropionic 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

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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