Chemical Properties of 2-Propanone, 1,3-diphenyl- (CAS 102-04-5)

2-Propanone, 1,3-diphenyl-

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InChI
InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key
YFKBXYGUSOXJGS-UHFFFAOYSA-N
Formula
C15H14O
SMILES
O=C(Cc1ccccc1)Cc1ccccc1
Molecular Weight1
210.27
CAS
102-04-5
Other Names
  • 1,3-Diphenyl-2-propanone
  • 1,3-Diphenyl-propan-2-one
  • 1,3-Diphenylacetone
  • 1,3-Diphenylpropanone
  • Benzyl ketone
  • Dibenzyl ketone
  • NSC 220312
  • «alpha»,«alpha»'-Diphenylacetone
Sources

Physical Properties

Property Value Unit Source
Δcsolid -7819.50 ± 2.50 kJ/mol NIST
Δf 171.32 kJ/mol Joback Calculated Property
Δfgas 7.55 kJ/mol Joback Calculated Property
Δfsolid -84.00 ± 2.60 kJ/mol NIST
Δfus 24.29 kJ/mol Joback Calculated Property
Δsub 89.10 kJ/mol NIST
Δvap 60.28 kJ/mol Joback Calculated Property
IE 8.50 ± 0.10 eV NIST
logPoct/wat 3.04 Crippen Calculated Property
Pc 2676.31 kPa Joback Calculated Property
Tboil 604.20 K NIST
Tc 891.24 K Joback Calculated Property
Tfus 308.00 ± 1.00 K NIST
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 440.98 J/mol×K 649.83 Joback Calculated Property
η 0.00 Pa×s 649.83 Joback Calculated Property
ΔfusH 20.20 kJ/mol 307.2 NIST
ΔfusH 20.20 kJ/mol 307.2 NIST
ΔvapH 65.70 kJ/mol 501.0 NIST
ΔfusS 65.78 J/mol×K 307.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 2
>C=O (nonring) 1
=CH- (ring) 10

Similar Compounds

2-Propanone, 1-phenyl-. 4-Methylphenyl acetone. 1-Phenyl-2-butanone. 1-hydroxy-3-phenyl-2-propanone. Benzene, 1,1'-(1,3-propanediyl)bis-. 2H-inden-2-one, 1,3-dihydro-. 1-PHENYL-PENTAN-2-ONE. Tricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene. (4-Fluorophenyl)acetone. 2-Propanone,p-chlorophenyl-. 1-Phenyl-2-hexanone. 1-phenyl-2,3-butanedione. 2-Butanone, 3-phenyl-. 3-hydroxy-1-phenyl-2-butanone. Benzyl isobutyl ketone.

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