Chemical Properties of 1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)- (CAS 55814-54-5)

1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-

InChI
InChI=1S/C17H18O2/c1-17(2,3)16(18)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key
ITEMAFJPIQQQMO-UHFFFAOYSA-N
Formula
C17H18O2
SMILES
CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1
Molecular Weight1
254.32
CAS
55814-54-5
Other Names
  • 4'-Phenoxypivalophenone
  • tert-Butyl 4-phenoxyphenyl ketone
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Physical Properties

Property Value Unit Source
ω 0.6122 Relay (1.0) Calculated Property
ΔfH°gas -217.04 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 22.85 kJ/mol Joback Calculated Property
ΔvapH° 87.36 kJ/mol Relay (1.0) Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -5.25 Relay (1.0) Calculated Property
logPoct/wat 4.708 Crippen Calculated Property
McVol 210.310 ml/mol McGowan Calculated Property
Pc 2187.68 kPa Joback Calculated Property
Tboil 608.94 K Relay (1.0) Calculated Property
Tc 865.62 K Relay (1.0) Calculated Property
Tfus 331.00 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [573.91; 656.03] J/mol×K [719.96; 962.30] Show Hide
Cp,gas 573.91 J/mol×K 719.96 Joback Calculated Property
Cp,gas 590.76 J/mol×K 760.35 Joback Calculated Property
Cp,gas 606.23 J/mol×K 800.74 Joback Calculated Property
Cp,gas 620.40 J/mol×K 841.13 Joback Calculated Property
Cp,gas 633.36 J/mol×K 881.52 Joback Calculated Property
Cp,gas 645.21 J/mol×K 921.91 Joback Calculated Property
Cp,gas 656.03 J/mol×K 962.30 Joback Calculated Property
η [0.0000906; 0.0010996] Pa×s [421.29; 719.96] Show Hide
η 0.0010996 Pa×s 421.29 Joback Calculated Property
η 0.0005821 Pa×s 471.07 Joback Calculated Property
η 0.0003480 Pa×s 520.85 Joback Calculated Property
η 0.0002276 Pa×s 570.62 Joback Calculated Property
η 0.0001593 Pa×s 620.40 Joback Calculated Property
η 0.0001176 Pa×s 670.18 Joback Calculated Property
η 0.0000906 Pa×s 719.96 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 448.20 K 0.40 NIST

Similar Compounds

Phenyl tert-butyl ketone. 4-Acetylphenyl ether. 2,2-Dimethyl-1,3-diphenyl-1,3-propanedione. p-Hydroxypropiophenone. R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desamino-oxo-). p-tert-Butylpivalophenone. 1-Phenyl-3-chloro-2,2-bis(chloromethyl)-1-propanone. 1-Propanone, 1-(4-methoxyphenyl)-. 1-Butanone, 1-(4-hydroxyphenyl)-. 1-(2-Chloro-4-methoxyphenyl)-2-methyl-1-propanone. 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-. Isopropyl phenyl ketone. Cyclopropyl-4-methoxyphenylketone. R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desmethyl-desamino-oxo-), ethylated. 4-Hydroxyoctanophenone.

Find more compounds similar to 1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-.

Sources

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