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

Ethanone, 1-(4-chlorophenyl)-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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 [0.0002938; 0.0021784] Pa×s [298.71; 505.40] Show Hide
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] 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 m/s 308.15 Ultraso...

Datasets

Viscosity, Pa*s of Ethanone, 1-(4-chlorophenyl)- [ref]

Fixed Measured
Temperature, K of Ethanone, 1-(4-chlorophenyl)- - Liquid Pressure, kPa of Ethanone, 1-(4-chlorophenyl)- - Liquid Viscosity, Pa*s of Ethanone, 1-(4-chlorophenyl)- - Liquid
308.15 101.30 0.0023

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [380.10; 512.08] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.67680e+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

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

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.

Login Register