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

Ethanone, 1-(4-chlorophenyl)-

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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

Physical Properties

Property Value Unit Source
PAff 856.60 kJ/mol NIST
BasG 824.80 kJ/mol NIST
EA [0.55; 0.58] eV Show Hide
EA 0.58 ± 0.09 eV NIST
EA 0.55 ± 0.09 eV NIST
EA 0.57 ± 0.01 eV NIST
Δf -21.59 kJ/mol Joback Calculated Property
Δfgas -111.71 kJ/mol Joback Calculated Property
Δfus 15.92 kJ/mol Joback Calculated Property
Δvap 47.47 kJ/mol Joback Calculated Property
IE [9.25; 9.64] eV Show Hide
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]   Show Hide
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] Show Hide
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 0.0022930 Pa×s 308.15 Density...
ΔvapH [50.70; 54.00] kJ/mol [440.00; 513.50] Show Hide
ΔvapH 50.70 kJ/mol 440.00 NIST
ΔvapH 54.00 kJ/mol 513.50 NIST
ρl [1181.30; 1188.90] kg/m3 [298.15; 308.15] Show Hide
ρl 1188.90 kg/m3 298.15 Ultraso...
ρl 1181.30 kg/m3 308.15 Density...
ρl 1181.30 kg/m3 308.15 Ultraso...
csound,fluid [1389.98; 1390.00] m/s [308.15; 308.15] Show Hide
csound,fluid 1390.00 m/s 308.15 Ultraso...
csound,fluid 1389.98 ± 4.17 m/s 308.15 Ultraso...

Similar Compounds

2-Chloro-1-(4-chlorophenyl)ethanone. Ethanone, 1-(3,4-dichlorophenyl)-. 4-Chlorobenzoylacetonitrile. Ethanone,1-(4-chlorophenyl)-2-diazo-. Acetophenone, 4'-chloro-2,2-difluoro. Ethanone, 1-(2,4-dichlorophenyl)-. Ethanone, 1,1'-(1,4-phenylene)bis-. Acetophenone, 3'-chloro-. Acetophenone. Acetophenone-«alpha»,«alpha»,«alpha»-d3. 1-Propanone, 1-(4-chlorophenyl)-. Acetophenone, 4'-chloro, 2,2,2-trifluoro. 4-Iodoacetophenone. Ethanone, 1-(2-chlorophenyl)-. Benzonitrile, 4-acetyl-.

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

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.