Chemical Properties of Acetophenone (CAS 98-86-2)

Acetophenone

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

InChI
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key
KWOLFJPFCHCOCG-UHFFFAOYSA-N
Formula
C8H8O
SMILES
CC(=O)c1ccccc1
Molecular Weight1
120.15
CAS
98-86-2
Other Names
  • 1-Phenyl-1-ethanone
  • 1-Phenylethanone
  • 1-phenylethanone (acetophenone)
  • Acetofenon
  • Acetophenon
  • Acetylbenzene
  • Acetylbenzol
  • Benzene, acetyl-
  • Benzoyl methide
  • Dymex
  • Ethanone, 1-phenyl-
  • Hypnon
  • Hypnone
  • Ketone, methyl phenyl-
  • Methyl phenyl ketone
  • NSC 7635
  • Phenyl methyl ketone
  • Phenylethanone
  • Rcra waste number U004
  • USAF EK-496
Sources

Physical Properties

Property Value Unit Source
PAff 861.10 kJ/mol NIST
PAff 863.50 ± 0.50 kJ/mol NIST
BasG 829.30 kJ/mol NIST
Δcliquid -4140.00 kJ/mol NIST
Δcliquid -4148.90 ± 0.88 kJ/mol NIST
Δcliquid -4136.00 kJ/mol NIST
EA 0.33 ± 0.00 eV NIST
EA 0.33 ± 0.00 eV NIST
EA 2.55 ± 0.03 eV NIST
Δf -0.03 kJ/mol Joback Calculated Property
Δfgas -86.70 ± 1.70 kJ/mol NIST
Δfliquid -142.50 ± 1.00 kJ/mol NIST
Δfus 12.12 kJ/mol Joback Calculated Property
Δvap [52.70; 57.90] kJ/mol Show Hide
Δvap 55.40 ± 0.40 kJ/mol NIST
Δvap 53.40 kJ/mol NIST
Δvap 52.70 kJ/mol NIST
Δvap 57.90 kJ/mol NIST
Δvap 55.90 ± 1.30 kJ/mol NIST
IE [8.90; 9.60] eV Show Hide
IE 9.28 ± 0.03 eV NIST
IE 9.10 ± 0.10 eV NIST
IE 9.28 eV NIST
IE 9.45 eV NIST
IE 9.10 ± 0.10 eV NIST
IE 9.10 eV NIST
IE 9.50 eV NIST
IE 9.30 ± 0.20 eV NIST
IE 9.15 ± 0.03 eV NIST
IE 9.27 ± 0.03 eV NIST
IE 9.60 eV NIST
IE 9.38 eV NIST
IE 9.51 eV NIST
IE 9.51 eV NIST
IE 9.45 eV NIST
IE 9.45 eV NIST
IE 9.35 eV NIST
IE Outlier 8.90 eV NIST
IE 9.37 eV NIST
logPoct/wat 1.889 Crippen Calculated Property
Pc 4400.00 ± 150.00 kPa NIST
Pc 4010.00 ± 30.00 kPa NIST
gas 372.88 J/mol×K NIST
Tboil [340.00; 475.80] K Show Hide
Tboil Outlier 340.00 K NIST
Tboil 475.80 K NIST
Tboil 475.00 K NIST
Tboil 474.85 K NIST
Tboil 475.15 ± 0.35 K NIST
Tboil 475.15 ± 0.30 K NIST
Tboil 474.00 ± 1.50 K NIST
Tboil 474.00 ± 3.00 K NIST
Tboil 475.20 ± 0.50 K NIST
Tboil 475.20 ± 0.50 K NIST
Tboil 475.15 ± 0.50 K NIST
Tboil 474.65 ± 1.00 K NIST
Tboil 475.15 ± 1.00 K NIST
Tc 713.00 ± 2.00 K NIST
Tc 709.60 ± 1.00 K NIST
Tc 709.50 ± 0.60 K NIST
Tfus [292.65; 293.65] K Show Hide
Tfus 293.00 K NIST
Tfus 292.85 K NIST
Tfus 292.65 ± 1.50 K NIST
Tfus 293.00 ± 2.00 K NIST
Tfus 292.77 ± 0.06 K NIST
Tfus 292.75 ± 0.30 K NIST
Tfus 293.15 ± 1.50 K NIST
Tfus Outlier 293.65 ± 0.60 K NIST
Vc 0.382 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 192.32 J/mol×K 462.99 Joback Calculated Property
Cp,liquid 227.60 J/mol×K 303.2 NIST
η 0.0002803 Pa×s 462.99 Joback Calculated Property
ΔfusH 16.65 kJ/mol 292.7 NIST
ΔvapH [41.90; 52.60] kJ/mol [393.00; 489.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 51.20 kJ/mol 393.0 NIST
ΔvapH 41.90 kJ/mol 410.0 NIST
ΔvapH 52.60 ± 0.40 kJ/mol 440.0 NIST
ΔvapH 50.10 ± 0.30 kJ/mol 440.0 NIST
ΔvapH 47.50 ± 0.30 kJ/mol 440.0 NIST
ΔvapH 45.00 ± 0.40 kJ/mol 440.0 NIST
ΔvapH 42.20 ± 0.40 kJ/mol 440.0 NIST
ΔvapH 49.70 kJ/mol 489.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
>C=O (nonring) 1
=CH- (ring) 5
-CH3 1

Similar Compounds

Ethanone, 1-(4-methylphenyl)-. Ethanone, 1-(4-ethylphenyl)-. Ethanone, 1,1'-(1,4-phenylene)bis-. Ethanone, 2-bromo-1-phenyl-. .alpha.-Hydroxyacetophenone. Phenylglyoxal. Ethanone, 2-amino-1-phenyl-. 1-Propanone, 1-phenyl-. Benzeneacetonitrile, .alpha.-oxo-. Ethanone, 2-chloro-1-phenyl-. 2-Propen-1-one, 1-phenyl-. Ethanone, 1-[4-(1-methylethyl)phenyl]-. p-Chloroacetophenone. Acetophenone, 4'-hydroxy-. Ethanone, 1-(3-methylphenyl)-.

Find more compounds similar to Acetophenone.

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.