Chemical Properties of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- (CAS 21084-84-4)

1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-

InChI
InChI=1S/C8H6N2O2/c11-8-9-7(12-10-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChI Key
INVHTFJJZGBKTM-UHFFFAOYSA-N
Formula
C8H6N2O2
SMILES
O=c1nc(-c2ccccc2)o[nH]1
Molecular Weight1
162.15
CAS
21084-84-4
Other Names
  • 1,2,4-Oxadiazol-3-ol, 5-phenyl-
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Physical Properties

Property Value Unit Source
ω 0.5060 Relay (1.0) Calculated Property
ΔcH°solid -4001.20 ± 5.90 kJ/mol NIST
ΔfG° 97.10 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -89.92 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.44 kJ/mol Relay (1.0) Calculated Property
IE 9.28 eV Relay (1.0) Calculated Property
log10WS -2.24 Relay (1.0) Calculated Property
logPoct/wat 0.548 Crippen Calculated Property
McVol 112.060 ml/mol McGowan Calculated Property
Pc 5308.79 kPa Relay (1.0-beta) Calculated Property
Tboil 590.85 K Relay (1.0) Calculated Property
Tc 831.93 K Relay (1.0) Calculated Property
Tfus 408.14 K Relay (1.0) Calculated Property
Vc 0.436 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1,2,4-Oxadiazole, 3-methyl-5-phenyl-. 1,2,4-Oxadiazole, 3,5-diphenyl-. Oxadiazole, 1,2,4-, 5-(3-chlorophenyl)-3-(5-nitrofuran-2-yl)-. 2-Phenyl-3,1-benzoxazin-4-one. Isoxazole, 3,5-diphenyl-. Benzoxazole, 2-phenyl-. Phenol, 2-(2-benzoxazolyl)-. Oxazole, 2-(1-naphthalenyl)-5-phenyl-. Oxadiazole, 1,2,4-, 5-(4-butoxyphenyl)-3-(5-nitrofuran-2-yl)-. 1,4-Bis(5-phenyloxazol-2-yl)benzene. Oxazole, 2,5-diphenyl-. 2,5-Bis(4-biphenylyl)oxazole. Bentranil. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TMS. 2-(2-Benzothiazolyl)-5-methylphenol.

Find more compounds similar to 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-.

Sources

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