Chemical Properties of 1-Butanone, 1-(4-chlorophenyl)- (CAS 4981-63-9)

InChI

InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

InChI Key

XLCJPQYALLFIPW-UHFFFAOYSA-N

Formula

C10H11ClO

SMILES

CCCC(=O)c1ccc(Cl)cc1

Molecular Weight¹

182.65

CAS

4981-63-9

Other Names

• Butyrophenone, 4'-chloro-
• p-Chlorobutyrophenone
• 4-Chlorophenyl propyl ketone
• 4'-Chlorobutyrophenone
• 1-(4-Chlorophenyl)-1-butanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-4.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-152.99	kJ/mol	Joback Calculated Property
ΔfusH°	21.10	kJ/mol	Joback Calculated Property
ΔvapH°	51.92	kJ/mol	Joback Calculated Property
IE	9.00 ± 0.20	eV	NIST
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.323		Crippen Calculated Property
McVol	141.810	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[1586.00; 1586.00]
Inp	1586.00		NIST
Inp	1586.00		NIST
Tboil	551.16	K	Joback Calculated Property
Tc	771.98	K	Joback Calculated Property
Tfus	321.25	K	Joback Calculated Property
Vc	0.542	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.67; 367.75]	J/mol×K	[551.16; 771.98]
Cp,gas	302.67	J/mol×K	551.16	Joback Calculated Property
Cp,gas	315.41	J/mol×K	587.96	Joback Calculated Property
Cp,gas	327.34	J/mol×K	624.77	Joback Calculated Property
Cp,gas	338.51	J/mol×K	661.57	Joback Calculated Property
Cp,gas	348.95	J/mol×K	698.37	Joback Calculated Property
Cp,gas	358.68	J/mol×K	735.18	Joback Calculated Property
Cp,gas	367.75	J/mol×K	771.98	Joback Calculated Property
η	[0.0002580; 0.0022030]	Pa×s	[321.25; 551.16]
η	0.0022030	Pa×s	321.25	Joback Calculated Property
η	0.0012737	Pa×s	359.57	Joback Calculated Property
η	0.0008183	Pa×s	397.89	Joback Calculated Property
η	0.0005683	Pa×s	436.20	Joback Calculated Property
η	0.0004186	Pa×s	474.52	Joback Calculated Property
η	0.0003227	Pa×s	512.84	Joback Calculated Property
η	0.0002580	Pa×s	551.16	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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