Chemical Properties of Ethanone, 1-(4-chlorophenyl)- (CAS 99-91-2)

InChI

InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChI Key

BUZYGTVTZYSBCU-UHFFFAOYSA-N

Formula

C8H7ClO

SMILES

CC(=O)c1ccc(Cl)cc1

Molecular Weight¹

154.59

CAS

99-91-2

Other Names

• 1-(4-Chlorophenyl)ethanone
• 1-acetyl-4-chlorobenzene
• 4'-Chloroacetophenone
• 4-Chloroacetophenone
• Acetophenone, 4'-chloro-
• USAF do-1
• p-Chloroacetophenone

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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
PAff	856.60	kJ/mol	NIST
BasG	824.80	kJ/mol	NIST
EA	[0.55; 0.58]	eV
EA	0.58 ± 0.09	eV	NIST
EA	0.55 ± 0.09	eV	NIST
EA	0.57 ± 0.01	eV	NIST
ΔfG°	-21.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.71	kJ/mol	Joback Calculated Property
ΔfusH°	15.92	kJ/mol	Joback Calculated Property
ΔvapH°	47.47	kJ/mol	Joback Calculated Property
IE	[9.25; 9.64]	eV
IE	9.63	eV	NIST
IE	9.60 ± 0.10	eV	NIST
IE	9.47 ± 0.05	eV	NIST
IE	9.64 ± 0.15	eV	NIST
IE	Outlier 9.25	eV	NIST
IE	9.52	eV	NIST
IE	9.60 ± 0.05	eV	NIST
log10WS	-2.82		Crippen Calculated Property
logPoct/wat	2.543		Crippen Calculated Property
McVol	113.630	ml/mol	McGowan Calculated Property
Pc	3699.95	kPa	Joback Calculated Property
Inp	[1204.00; 1204.00]
Inp	1204.00		NIST
Inp	1204.00		NIST
Tboil	505.20	K	NIST
Tc	734.29	K	Joback Calculated Property
Tfus	291.55 ± 0.05	K	NIST
Vc	0.430	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.19; 270.00]	J/mol×K	[505.40; 734.29]
Cp,gas	216.19	J/mol×K	505.40	Joback Calculated Property
Cp,gas	226.80	J/mol×K	543.55	Joback Calculated Property
Cp,gas	236.72	J/mol×K	581.70	Joback Calculated Property
Cp,gas	245.97	J/mol×K	619.84	Joback Calculated Property
Cp,gas	254.59	J/mol×K	657.99	Joback Calculated Property
Cp,gas	262.58	J/mol×K	696.14	Joback Calculated Property
Cp,gas	270.00	J/mol×K	734.29	Joback Calculated Property
η	[0.0002938; 0.0021784]	Pa×s	[298.71; 505.40]
η	0.0021784	Pa×s	298.71	Joback Calculated Property
η	0.0013126	Pa×s	333.16	Joback Calculated Property
η	0.0008697	Pa×s	367.61	Joback Calculated Property
η	0.0006184	Pa×s	402.06	Joback Calculated Property
η	0.0004640	Pa×s	436.50	Joback Calculated Property
η	0.0003631	Pa×s	470.95	Joback Calculated Property
η	0.0002938	Pa×s	505.40	Joback Calculated Property
ΔvapH	[50.70; 54.00]	kJ/mol	[440.00; 513.50]
ΔvapH	50.70	kJ/mol	440.00	NIST
ΔvapH	54.00	kJ/mol	513.50	NIST
ρl	1188.90	kg/m3	298.15	Ultraso...
csound,fluid	1390.00	m/s	308.15	Ultraso...

Datasets

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
308.15	101.30	0.0023
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[380.10; 512.08]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67680e+01
Coefficient B			-4.95985e+03
Coefficient C			-7.91500e+01
Temperature range, min.			380.10
Temperature range, max.			512.08
Pvap	1.33	kPa	380.10	Calculated Property
Pvap	2.87	kPa	394.76	Calculated Property
Pvap	5.76	kPa	409.43	Calculated Property
Pvap	10.91	kPa	424.09	Calculated Property
Pvap	19.60	kPa	438.76	Calculated Property
Pvap	33.65	kPa	453.42	Calculated Property
Pvap	55.46	kPa	468.09	Calculated Property
Pvap	88.15	kPa	482.75	Calculated Property
Pvap	135.62	kPa	497.42	Calculated Property
Pvap	202.66	kPa	512.08	Calculated Property

Similar Compounds

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

Mixtures

• Acetamide, N-methyl- + Ethanone, 1-(4-chlorophenyl)-
• Acetonitrile + Ethanone, 1-(4-chlorophenyl)-
• n-Hexane + Benzenamine, N,N-dimethyl- + Ethanone, 1-(4-chlorophenyl)-

Sources

• Crippen Method
• Crippen Method
• Density and viscosity of binary liquid systems of N-methylacetamide with aromatic ketones at T = 308.15 K
• Ultrasonic studies on binary mixtures of some aromatic ketones with acetonitrile at T = 308.15 K
• THERMODYNAMIC PROPERTIES OF DONOR ACCEPTOR COMPLEXES OF TERTIARY AMINE WITH ARYL KETONES IN HEXANE MEDIUM
• Ultrasonic Studies of Binary Mixtures of Some Aromatic Ketones with N-Methyl-acetamide at 308.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.