Chemical Properties of 1,3-Propanedione, 1,3-diphenyl- (CAS 120-46-7)

1,3-Propanedione, 1,3-diphenyl-

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InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key
NZZIMKJIVMHWJC-UHFFFAOYSA-N
Formula
C15H12O2
SMILES
O=C(CC(=O)c1ccccc1)c1ccccc1
Molecular Weight1
224.25
CAS
120-46-7
Other Names
  • 1,3-Diphenyl-1,3-propanedione
  • 1,3-Diphenylpropane-1,3-dione
  • 1,3-Propanedione, 1,3-diphenyl-
  • 2-Benzoylacetophenone
  • Karenzu DK 2
  • NSC 6266
  • Phenyl phenacyl ketone
  • Rhodiastab 83
  • omega-Benzoylacetophenone
  • «omega»-Benzoylacetophenone
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-7410.00; -7386.00] kJ/mol Show Hide
Δcsolid -7393.00 ± 2.00 kJ/mol NIST
Δcsolid -7386.00 ± 4.60 kJ/mol NIST
Δcsolid -7395.00 ± 3.00 kJ/mol NIST
Δcsolid -7410.00 kJ/mol NIST
Δf 42.40 kJ/mol Joback Calculated Property
Δfgas -109.20 ± 2.00 kJ/mol NIST
Δfsolid -228.00 ± 12.00 kJ/mol NIST
Δfsolid -222.30 kJ/mol NIST
Δfsolid -241.00 kJ/mol NIST
Δfus 25.89 kJ/mol Joback Calculated Property
Δsub [50.20; 115.70] kJ/mol Show Hide
Δsub 113.30 ± 4.80 kJ/mol NIST
Δsub 115.70 ± 0.90 kJ/mol NIST
Δsub 115.70 ± 0.90 kJ/mol NIST
Δsub 50.20 kJ/mol NIST
Δvap 67.03 kJ/mol Joback Calculated Property
IE 8.30 eV NIST
IE 8.45 ± 0.05 eV NIST
logPoct/wat 3.14 Crippen Calculated Property
Pc 2859.68 kPa Joback Calculated Property
Tboil 493.20 K NIST
Tc 950.85 K Joback Calculated Property
Tfus 351.00 ± 3.00 K NIST
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 456.25 J/mol×K 703.7 Joback Calculated Property
η 0.00 Pa×s 703.7 Joback Calculated Property
ΔvapH 60.10 kJ/mol 375.5 NIST

Molecular Descriptors

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

Similar Compounds

3-Phenyl propiophenone. 1,3-Propanedione,2,2-dimethyl-1,3-diphenyl-. 1,3-Propanedione, 2-bromo-1,3-diphenyl-. 1,3-Butanedione, 1-phenyl-. 1-Propanone, 1-phenyl-. 3-Phenylbutyrophenone. 1H-Indene-1,3(2H)-dione. Phenyl isopropyl ketone. 4'-Methylpropiophenone. 1H-Inden-1-one, 2,3-dihydro-. O-hydroxydibenzoylmethane. 1-Propanone, 3-chloro-1-phenyl-. 1-Butanone, 1-phenyl-. 1-Propanone, 3-hydroxy-1-phenyl-. 2,4-diphenyl-1-buten-4-one.

Find more compounds similar to 1,3-Propanedione, 1,3-diphenyl-.

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