Chemical Properties of 2',4'-dichloropropiophenone (CAS 37885-41-9)

InChI

InChI=1S/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

InChI Key

FBMTWRZQBRHOPF-UHFFFAOYSA-N

Formula

C9H8Cl2O

SMILES

CCC(=O)c1ccc(Cl)cc1Cl

Molecular Weight¹

203.06

CAS

37885-41-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[171.98; 364.60]	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			2.25410e+01
Coefficient B			6.46520e-01
Coefficient C			-3.85020e-04
Coefficient D			8.05600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.98	J/mol×K	273.00	Calculated Property
Cp,gas	206.64	J/mol×K	353.78	Calculated Property
Cp,gas	237.39	J/mol×K	434.56	Calculated Property
Cp,gas	264.49	J/mol×K	515.33	Calculated Property
Cp,gas	288.19	J/mol×K	596.11	Calculated Property
Cp,gas	308.74	J/mol×K	676.89	Calculated Property
Cp,gas	326.40	J/mol×K	757.67	Calculated Property
Cp,gas	341.43	J/mol×K	838.44	Calculated Property
Cp,gas	354.08	J/mol×K	919.22	Calculated Property
Cp,gas	364.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016712; 0.0002849]	Pa×s	[352.42; 560.89]	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			-1.11545e+01
Coefficient B			1.67761e+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.			352.42
Temperature range, max.			560.89
η	0.0016712	Pa×s	352.42	Calculated Property
η	0.0012460	Pa×s	375.58	Calculated Property
η	0.0009613	Pa×s	398.75	Calculated Property
η	0.0007630	Pa×s	421.91	Calculated Property
η	0.0006204	Pa×s	445.07	Calculated Property
η	0.0005148	Pa×s	468.24	Calculated Property
η	0.0004348	Pa×s	491.40	Calculated Property
η	0.0003729	Pa×s	514.57	Calculated Property
η	0.0003240	Pa×s	537.73	Calculated Property
η	0.0002849	Pa×s	560.89	Calculated Property

Similar Compounds

Find more compounds similar to 2',4'-dichloropropiophenone.

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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