Chemical Properties of Acetyl chloride, (2,4-dichlorophenoxy)- (CAS 774-74-3)

InChI

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

InChI Key

FUJSJWRORKKPAI-UHFFFAOYSA-N

Formula

C8H5Cl3O2

SMILES

O=C(Cl)COc1ccc(Cl)cc1Cl

Molecular Weight¹

239.48

CAS

774-74-3

Other Names

• (2,4-Dichlorophenoxy)acetyl chloride
• 2,4-Dichlorophenoxy acetyl chloride

• 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).
• 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 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	[179.58; 339.78]	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			6.18410e+01
Coefficient B			4.95100e-01
Coefficient C			-2.40020e-04
Coefficient D			2.28600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.58	J/mol×K	273.00	Calculated Property
Cp,gas	207.97	J/mol×K	353.78	Calculated Property
Cp,gas	233.54	J/mol×K	434.56	Calculated Property
Cp,gas	256.37	J/mol×K	515.33	Calculated Property
Cp,gas	276.53	J/mol×K	596.11	Calculated Property
Cp,gas	294.09	J/mol×K	676.89	Calculated Property
Cp,gas	309.12	J/mol×K	757.67	Calculated Property
Cp,gas	321.70	J/mol×K	838.44	Calculated Property
Cp,gas	331.89	J/mol×K	919.22	Calculated Property
Cp,gas	339.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012328; 0.0002508]	Pa×s	[393.30; 590.29]	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			-1.14705e+01
Coefficient B			1.87686e+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.			393.30
Temperature range, max.			590.29
η	0.0012328	Pa×s	393.30	Calculated Property
η	0.0009586	Pa×s	415.19	Calculated Property
η	0.0007644	Pa×s	437.08	Calculated Property
η	0.0006229	Pa×s	458.96	Calculated Property
η	0.0005171	Pa×s	480.85	Calculated Property
η	0.0004363	Pa×s	502.74	Calculated Property
η	0.0003733	Pa×s	524.63	Calculated Property
η	0.0003235	Pa×s	546.52	Calculated Property
η	0.0002834	Pa×s	568.41	Calculated Property
η	0.0002508	Pa×s	590.29	Calculated Property

Similar Compounds

Find more compounds similar to Acetyl chloride, (2,4-dichlorophenoxy)-.

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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