Chemical Properties of 4-Acetylanisole (CAS 100-06-1)

4-Acetylanisole

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InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI Key
NTPLXRHDUXRPNE-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
COc1ccc(C(C)=O)cc1
Molecular Weight1
150.17
CAS
100-06-1
Other Names
  • 1-(4-methoxyphenyl)ethanone
  • 4'-methoxyacetophenone
  • 4-Methoxyacetofenon
  • 4-Methoxyacetophenon
  • 4-Methoxyacetophenone
  • 4-Methoxyphenyl methyl ketone
  • Acetanisole
  • Acetophenone, 4'-methoxy-
  • Acetophenone, p-methoxy-
  • Anise ketone
  • Ethanone, 1-(4-methoxyphenyl)-
  • Linarodin
  • Methyl 4-methoxyphenyl ketone
  • Methyl p-methoxyphenyl ketone
  • NSC 209523
  • Novatone
  • Vananote
  • anisole, 4-acetyl-
  • methyl (4-methoxyphenyl) ketone
  • p-Methoxyacetophenone
  • p-Methoxyphenyl methyl ketone
  • p-Metoxyacetophenone
  • p-acetylanisole
  • para-Methoxyacetophenone
  • para-Methoxyacetophenone (acetanisole)
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Physical Properties

Property Value Unit Source
PAff 895.60 kJ/mol NIST
BasG 863.70 kJ/mol NIST
Δcliquid -4669.80 kJ/mol NIST
Δf -106.24 kJ/mol Joback Calculated Property
Δfgas -248.83 kJ/mol Joback Calculated Property
Δfus 15.50 kJ/mol Joback Calculated Property
Δvap 47.72 kJ/mol Joback Calculated Property
IE [8.20; 8.65] eV Show Hide
IE 8.20 ± 0.10 eV NIST
IE 8.62 ± 0.05 eV NIST
IE 8.52 eV NIST
IE 8.65 eV NIST
IE 8.65 eV NIST
log10WS -2.25 Crippen Calculated Property
logPoct/wat 1.898 Crippen Calculated Property
McVol 121.350 ml/mol McGowan Calculated Property
Pc 3380.21 kPa Joback Calculated Property
Inp [1302.00; 1394.00]   Show Hide
Inp 1337.00 NIST
Inp 1310.90 NIST
Inp 1314.30 NIST
Inp 1325.80 NIST
Inp Outlier 1392.40 NIST
Inp Outlier 1394.00 NIST
Inp 1333.40 NIST
Inp 1345.00 NIST
Inp 1348.00 NIST
Inp 1369.00 NIST
Inp 1337.00 NIST
Inp 1338.00 NIST
Inp 1348.00 NIST
Inp 1360.00 NIST
Inp 1303.00 NIST
Inp 1355.00 NIST
Inp 1350.00 NIST
Inp 1304.00 NIST
Inp 1345.00 NIST
Inp 1348.00 NIST
Inp 1303.00 NIST
Inp 1302.00 NIST
Inp 1311.00 NIST
Inp 1327.00 NIST
Inp 1369.00 NIST
Inp 1310.00 NIST
Inp 1350.00 NIST
Inp 1355.00 NIST
I [2115.00; 2164.00]   Show Hide
I 2144.00 NIST
I 2120.00 NIST
I 2144.00 NIST
I 2150.00 NIST
I 2164.00 NIST
I 2116.00 NIST
I 2115.00 NIST
I 2115.00 NIST
I 2144.00 NIST
Tboil 531.20 K NIST
Tc 730.64 K Joback Calculated Property
Tfus [311.15; 312.00] K Show Hide
Tfus 312.00 ± 3.00 K NIST
Tfus 311.65 ± 1.50 K NIST
Tfus 311.40 ± 0.70 K NIST
Tfus 311.15 ± 1.00 K NIST
Vc 0.456 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [256.24; 320.16] J/mol×K [513.27; 730.64] Show Hide
Cp,gas 256.24 J/mol×K 513.27 Joback Calculated Property
Cp,gas 268.48 J/mol×K 549.50 Joback Calculated Property
Cp,gas 280.07 J/mol×K 585.73 Joback Calculated Property
Cp,gas 291.03 J/mol×K 621.95 Joback Calculated Property
Cp,gas 301.35 J/mol×K 658.18 Joback Calculated Property
Cp,gas 311.06 J/mol×K 694.41 Joback Calculated Property
Cp,gas 320.16 J/mol×K 730.64 Joback Calculated Property
η [0.0002227; 0.0017319] Pa×s [302.29; 513.27] Show Hide
η 0.0017319 Pa×s 302.29 Joback Calculated Property
η 0.0010297 Pa×s 337.45 Joback Calculated Property
η 0.0006754 Pa×s 372.62 Joback Calculated Property
η 0.0004764 Pa×s 407.78 Joback Calculated Property
η 0.0003552 Pa×s 442.94 Joback Calculated Property
η 0.0002765 Pa×s 478.11 Joback Calculated Property
η 0.0002227 Pa×s 513.27 Joback Calculated Property
ΔsubH [77.70; 93.70] kJ/mol [288.00; 311.40] Show Hide
ΔsubH 77.70 kJ/mol 288.00 NIST
ΔsubH 93.70 kJ/mol 308.00 NIST
ΔsubH 77.70 ± 0.20 kJ/mol 311.40 NIST
ΔvapH [66.50; 87.80] kJ/mol [298.15; 322.50] Show Hide
ΔvapH 87.80 kJ/mol 298.15 Standar...
ΔvapH 66.50 kJ/mol 322.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [411.70; 426.20] K [2.00; 3.50] Show Hide
Tboilr 411.70 K 2.00 NIST
Tboilr 426.20 K 3.50 NIST

Similar Compounds

Ethanone, 2-bromo-1-(4-methoxyphenyl)-. Ethanone, 1-(4-ethoxyphenyl)-. Ethanone, 1-[4-(trifluoromethoxy)phenyl]-. 4-Methoxybenzoylacetonitrile. 1-(4-Methoxyphenyl)prop-2-en-1-one. 4-Acetoxyacetophenone. 1-Propanone, 1-(4-methoxyphenyl)-. Acetophenone, 4'-hydroxy-. 3-Methoxyacetophenone. Ethanone, 1-(3-chloro-4-methoxyphenyl)-. Ethanone, 1-(3,4-dimethoxyphenyl)-. Acetophenone, 3'-fluoro-4'-methoxy-. 4-Acetylphenyl ether. Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-. 4,4'-Dimethoxybenzil.

Find more compounds similar to 4-Acetylanisole.

Sources

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

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