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

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

• 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	[0.0022564; 0.0002783]	Pa×s	[308.65; 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			308.65
Temperature range, max.			527.37
η	0.0022564	Pa×s	308.65	Calculated Property
η	0.0015612	Pa×s	332.95	Calculated Property
η	0.0011357	Pa×s	357.25	Calculated Property
η	0.0008603	Pa×s	381.56	Calculated Property
η	0.0006737	Pa×s	405.86	Calculated Property
η	0.0005424	Pa×s	430.16	Calculated Property
η	0.0004469	Pa×s	454.46	Calculated Property
η	0.0003756	Pa×s	478.76	Calculated Property
η	0.0003210	Pa×s	503.06	Calculated Property
η	0.0002783	Pa×s	527.37	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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