Chemical Properties of Benzophenone (CAS 119-61-9)

Benzophenone

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InChI
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI Key
RWCCWEUUXYIKHB-UHFFFAOYSA-N
Formula
C13H10O
SMILES
O=C(c1ccccc1)c1ccccc1
Molecular Weight1
182.22
CAS
119-61-9
Other Names
  • 1-Benzophenone
  • Adjutan 6016
  • Benzene, benzoyl-
  • Benzoylbenzene
  • Cinnarizine M (benzophenone)
  • Cyclizine M (Benzophenone)
  • Diphenyl ketone
  • Diphenyl-methanon
  • Diphenylmethanone
  • Kayacure BP
  • Ketone, diphenyl
  • Methanone, diphenyl-
  • NSC 8077
  • Phenyl ketone
  • alpha-Oxodiphenylmethane
  • alpha-Oxoditane
  • «alpha»-Oxodiphenylmethane
  • «alpha»-Oxoditane
Sources

Physical Properties

Property Value Unit Source
PAff 882.30 kJ/mol NIST
BasG 852.50 kJ/mol NIST
Δcsolid [-6512.40; -6498.00] kJ/mol Show Hide
Δcsolid -6510.30 ± 2.10 kJ/mol NIST
Δcsolid -6510.00 ± 2.00 kJ/mol NIST
Δcsolid -6512.00 kJ/mol NIST
Δcsolid -6512.40 ± 3.20 kJ/mol NIST
Δcsolid -6504.00 kJ/mol NIST
Δcsolid -6498.00 kJ/mol NIST
EA [0.62; 1.11] eV Show Hide
EA 0.62 ± 0.10 eV NIST
EA 1.11 ± 0.04 eV NIST
EA 0.66 ± 0.09 eV NIST
EA 0.69 ± 0.05 eV NIST
EA 0.64 ± 0.05 eV NIST
Δf 154.48 kJ/mol Joback Calculated Property
Δfgas 49.90 ± 3.00 kJ/mol NIST
Δfsolid [-50.84; -32.30] kJ/mol Show Hide
Δfsolid -34.00 kJ/mol NIST
Δfsolid -33.00 kJ/mol NIST
Δfsolid -32.30 ± 3.30 kJ/mol NIST
Δfsolid -50.84 kJ/mol NIST
Δfus 19.11 kJ/mol Joback Calculated Property
Δsub [77.00; 95.00] kJ/mol Show Hide
Δsub 93.10 ± 2.10 kJ/mol NIST
Δsub 84.40 ± 1.10 kJ/mol NIST
Δsub 84.40 ± 1.10 kJ/mol NIST
Δsub Outlier 77.00 ± 2.50 kJ/mol NIST
Δsub 92.00 ± 0.83 kJ/mol NIST
Δsub 94.60 ± 0.80 kJ/mol NIST
Δsub 93.30 ± 0.30 kJ/mol NIST
Δsub 93.40 ± 0.30 kJ/mol NIST
Δsub 85.40 kJ/mol NIST
Δsub 95.00 ± 2.50 kJ/mol NIST
Δsub 91.20 ± 1.60 kJ/mol NIST
Δvap 94.98 kJ/mol NIST
IE [9.05; 9.50] eV Show Hide
IE 9.08 ± 0.04 eV NIST
IE 9.40 ± 0.10 eV NIST
IE 9.28 eV NIST
IE 9.50 ± 0.10 eV NIST
IE 9.50 ± 0.10 eV NIST
IE 9.46 eV NIST
IE 9.14 ± 0.03 eV NIST
IE 9.46 ± 0.05 eV NIST
IE 9.35 ± 0.04 eV NIST
IE 9.40 eV NIST
IE 9.05 ± 0.05 eV NIST
IE 9.05 eV NIST
logPoct/wat 2.92 Crippen Calculated Property
Pc 3352.00 ± 4.00 kPa NIST
Tboil [399.00; 579.25] K Show Hide
Tboil 497.00 K NIST
Tboil 430.70 K NIST
Tboil 579.10 K NIST
Tboil 578.50 K NIST
Tboil 399.00 ± 2.00 K NIST
Tboil 579.25 ± 0.07 K NIST
Tboil 550.65 ± 10.00 K NIST
Tboil 578.15 ± 2.00 K NIST
Tboil 579.25 ± 1.00 K NIST
Tc 830.00 ± 2.00 K NIST
Tfus [299.65; 322.00] K Show Hide
Tfus 320.20 ± 0.40 K NIST
Tfus 321.80 ± 0.20 K NIST
Tfus 321.95 ± 0.50 K NIST
Tfus 321.35 ± 0.40 K NIST
Tfus 322.00 ± 1.50 K NIST
Tfus 321.10 ± 0.02 K NIST
Tfus 321.60 ± 1.50 K NIST
Tfus 321.15 ± 1.50 K NIST
Tfus 321.15 ± 0.50 K NIST
Tfus 321.08 ± 0.05 K NIST
Tfus 321.00 ± 0.50 K NIST
Tfus 320.85 ± 0.50 K NIST
Tfus 321.00 ± 0.15 K NIST
Tfus 321.00 ± 1.50 K NIST
Tfus 320.99 ± 0.20 K NIST
Tfus 321.01 ± 0.20 K NIST
Tfus 320.90 ± 0.60 K NIST
Tfus 321.65 ± 1.00 K NIST
Tfus Outlier 299.65 ± 1.00 K NIST
Tfus 321.40 ± 0.60 K NIST
Tfus 321.25 ± 0.40 K NIST
Tfus 321.40 ± 0.25 K NIST
Tfus 321.15 ± 0.50 K NIST
Tfus 321.20 ± 1.00 K NIST
Ttriple 321.03 ± 0.02 K NIST
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 342.27 J/mol×K 604.07 Joback Calculated Property
Cp,solid 224.80 J/mol×K 300.0 NIST
η 0.00 Pa×s 604.07 Joback Calculated Property
ΔfusH [17.67; 18.81] kJ/mol [222.50; 324.20] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 18.81 kJ/mol 222.5 NIST
ΔfusH 18.19 kJ/mol 321.0 NIST
ΔfusH 18.19 kJ/mol 321.03 NIST
ΔfusH 17.67 kJ/mol 321.2 NIST
ΔfusH 18.47 kJ/mol 321.3 NIST
ΔfusH 18.19 kJ/mol 324.2 NIST
ΔsubH [78.20; 96.10] kJ/mol [302.50; 321.00] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 78.20 ± 1.20 kJ/mol 302.5 NIST
ΔsubH 95.00 ± 0.20 kJ/mol 304.0 NIST
ΔsubH 95.00 ± 1.50 kJ/mol 305.5 NIST
ΔsubH 92.90 ± 0.80 kJ/mol 306.0 NIST
ΔsubH 96.10 kJ/mol 306.0 NIST
ΔsubH 93.90 ± 0.50 kJ/mol 307.0 NIST
ΔsubH 89.96 kJ/mol 308.0 NIST
ΔsubH 78.20 ± 0.80 kJ/mol 313.0 NIST
ΔsubH 95.00 ± 1.00 kJ/mol 321.0 NIST
ΔvapH 62.20 kJ/mol 526.0 NIST
ΔvapH 59.00 kJ/mol 552.5 NIST
ΔvapH 65.10 kJ/mol 553.0 NIST
ΔfusS 56.67 J/mol×K 321.03 NIST
ΔfusS 55.00 J/mol×K 321.2 NIST

Molecular Descriptors

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

Similar Compounds

Methanone, (4-methylphenyl)phenyl-. 4,4'-Dimethylbenzophenone. Methanone, 1,4-phenylenebis[phenyl-. Methanone, (4-bromophenyl)phenyl-. Bis(4-aminophenyl)methanone. p-Dichlorobenzophenone. Methanone, (4-chlorophenyl)phenyl-. Methanone, (4-aminophenyl)phenyl-. Benzophenone, 4-fluoro-. Methanone, (3-methylphenyl)phenyl-. Methanone, (4-hydroxyphenyl)phenyl-. Bis(4-hydroxyphenyl)methanone. 4-Cyanobenzophenone. Methanone, 2-naphthalenylphenyl-. 4-Benzoylpyridine.

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