Chemical Properties of Ethanedione, diphenyl- (CAS 134-81-6)

Ethanedione, diphenyl-

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InChI
InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChI Key
WURBFLDFSFBTLW-UHFFFAOYSA-N
Formula
C14H10O2
SMILES
O=C(C(=O)c1ccccc1)c1ccccc1
Molecular Weight1
210.23
CAS
134-81-6
Other Names
  • 1,2-Diphenylethane-1,2-dione
  • 1,2-Diphenylethanedione
  • 1,2-Ethanedione, 1,2-diphenyl-
  • Benzil
  • Bibenzoyl
  • Dibenzoyl
  • Diphenyl-«alpha»,«beta»-diketone
  • Diphenylethanedione
  • Diphenylglyoxal
  • Glyoxal, diphenyl-
  • NSC 220315
  • Wy 20910
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-6828.70; -6760.00] kJ/mol Show Hide
Δcsolid -6784.00 ± 3.00 kJ/mol NIST
Δcsolid -6760.00 ± 3.00 kJ/mol NIST
Δcsolid -6784.80 kJ/mol NIST
Δcsolid -6828.70 kJ/mol NIST
Δf 33.98 kJ/mol Joback Calculated Property
Δfgas -84.39 kJ/mol Joback Calculated Property
Δfsolid -154.00 kJ/mol NIST
Δfsolid -179.00 kJ/mol NIST
Δfsolid 138.00 kJ/mol NIST
Δfus 23.30 kJ/mol Joback Calculated Property
Δsub 87.40 kJ/mol NIST
Δvap 64.80 kJ/mol Joback Calculated Property
IE [8.68; 9.10] eV Show Hide
IE 8.68 ± 0.05 eV NIST
IE 8.72 eV NIST
IE 8.86 ± 0.15 eV NIST
IE 8.78 ± 0.05 eV NIST
IE 8.90 ± 0.05 eV NIST
IE 9.10 eV NIST
logPoct/wat 2.75 Crippen Calculated Property
Pc 3177.55 kPa Joback Calculated Property
gas 480.18 J/mol×K NIST
solid,1 bar 292.08 J/mol×K NIST
Tboil 620.00 ± 1.00 K NIST
Tboil 461.00 K NIST
Tc 933.59 K Joback Calculated Property
Tfus [367.00; 369.30] K Show Hide
Tfus Outlier 369.30 ± 0.60 K NIST
Tfus 368.15 ± 1.00 K NIST
Tfus 368.25 ± 0.20 K NIST
Tfus 368.00 K NIST
Tfus 368.05 ± 0.20 K NIST
Tfus Outlier 367.00 ± 1.00 K NIST
Tfus 368.00 ± 2.00 K NIST
Tfus 368.25 ± 1.00 K NIST
Tfus 368.15 ± 2.00 K NIST
Ttriple 368.02 ± 0.01 K NIST
Ttriple 368.00 ± 0.00 K NIST
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 405.45 J/mol×K 680.82 Joback Calculated Property
Cp,solid 245.70 J/mol×K 298.15 NIST
η 0.00 Pa×s 680.82 Joback Calculated Property
ΔfusH 0.04 kJ/mol 84.0 NIST
ΔfusH 23.56 kJ/mol 368.0 NIST
ΔsubH 82.80 ± 0.80 kJ/mol 311.0 NIST
ΔsubH 98.40 ± 1.10 kJ/mol 329.5 NIST
ΔsubH 98.40 ± 1.10 kJ/mol 368.5 NIST
ΔvapH 69.20 kJ/mol 510.5 NIST
ΔfusS 0.50 J/mol×K 84.0 NIST
ΔfusS 64.02 J/mol×K 368.0 NIST

Molecular Descriptors

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

Similar Compounds

Ethanone, 1,2-diphenyl-. Ethandione, bis(p-tolyl)-. Ethanedione, (4-methylphenyl)phenyl-. 1,1'-(P-PHENYLENE)BIS(2-PHENYLETHANEDIONE). 4,4'-Difluorobenzil. Ethanedione,(4-hydroxyphenyl)phenyl-. 4-Chlorodibenzoyl. 4-Bromodesoxybenzoin. Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-. Ethanedione, (4-methoxyphenyl)phenyl-. 4,4'-Dimethoxybenzil. Dibenzoyl, 4-dimethylamino. Phenylglyoxal. Ethanedione, 1,2-bis(2-methylphenyl)-. Alpha,alpha-diphenyl acetophenone.

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