Chemical Properties of 1-Propanone, 1-(4-chlorophenyl)-

InChI

InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChI Key

ADCYRBXQAJXJTD-UHFFFAOYSA-N

Formula

C9H9ClO

SMILES

CCC(=O)c1ccc(Cl)cc1

Molecular Weight¹

168.62

Other Names

• Propiophenone, 4'-chloro-
• p-Chloropropiophenone
• Ethyl p-chlorophenyl ketone
• 4-Chloropropiophenone
• 4'-Chloropropiophenone
• Propiophenone, p-chloro-
• USAF EK-5296
• 1-(4-Chlorophenyl)-1-propanone
• NSC 5600

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[369.20; 408.70]	K	[0.10; 4.10]
Tboilr	369.20	K	0.10	NIST
Tboilr	408.70	K	4.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.03; 359.37]	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			-4.64900e+00
Coefficient B			6.99220e-01
Coefficient C			-4.31660e-04
Coefficient D			9.64600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.03	J/mol×K	273.00	Calculated Property
Cp,gas	192.96	J/mol×K	353.78	Calculated Property
Cp,gas	225.60	J/mol×K	434.56	Calculated Property
Cp,gas	254.25	J/mol×K	515.33	Calculated Property
Cp,gas	279.21	J/mol×K	596.11	Calculated Property
Cp,gas	300.78	J/mol×K	676.89	Calculated Property
Cp,gas	319.28	J/mol×K	757.67	Calculated Property
Cp,gas	335.01	J/mol×K	838.44	Calculated Property
Cp,gas	348.27	J/mol×K	919.22	Calculated Property
Cp,gas	359.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022080; 0.0002783]	Pa×s	[309.98; 527.37]	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			-1.11403e+01
Coefficient B			1.55755e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			309.98
Temperature range, max.			527.37
η	0.0022080	Pa×s	309.98	Calculated Property
η	0.0015355	Pa×s	334.13	Calculated Property
η	0.0011214	Pa×s	358.29	Calculated Property
η	0.0008522	Pa×s	382.44	Calculated Property
η	0.0006691	Pa×s	406.60	Calculated Property
η	0.0005397	Pa×s	430.75	Calculated Property
η	0.0004454	Pa×s	454.90	Calculated Property
η	0.0003748	Pa×s	479.06	Calculated Property
η	0.0003207	Pa×s	503.21	Calculated Property
η	0.0002783	Pa×s	527.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanone, 1-(4-chlorophenyl)-.

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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