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

InChI

InChI=1S/C8H5Cl3O2/c9-4-8(12)13-5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChI Key

CNALHVZXVPTLGY-UHFFFAOYSA-N

Formula

C8H5Cl3O2

SMILES

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

Molecular Weight¹

239.49

• 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°	26.70	kJ/mol	Joback Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	3.138		Crippen Calculated Property
McVol	143.980	ml/mol	McGowan Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.24; 321.97]	J/mol×K	[589.79; 823.00]
Cp,gas	278.24	J/mol×K	589.79	Joback Calculated Property
Cp,gas	287.15	J/mol×K	628.66	Joback Calculated Property
Cp,gas	295.39	J/mol×K	667.53	Joback Calculated Property
Cp,gas	302.99	J/mol×K	706.40	Joback Calculated Property
Cp,gas	309.94	J/mol×K	745.26	Joback Calculated Property
Cp,gas	316.27	J/mol×K	784.13	Joback Calculated Property
Cp,gas	321.97	J/mol×K	823.00	Joback Calculated Property
η	[0.0002072; 0.0015372]	Pa×s	[363.47; 589.79]
η	0.0015372	Pa×s	363.47	Joback Calculated Property
η	0.0009407	Pa×s	401.19	Joback Calculated Property
η	0.0006264	Pa×s	438.91	Joback Calculated Property
η	0.0004449	Pa×s	476.63	Joback Calculated Property
η	0.0003322	Pa×s	514.35	Joback Calculated Property
η	0.0002581	Pa×s	552.07	Joback Calculated Property
η	0.0002072	Pa×s	589.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic 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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