Chemical Properties of Bentranil (CAS 1022-46-4)

Bentranil

InChI
InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChI Key
HTTLBYITFHMYFK-UHFFFAOYSA-N
Formula
C14H9NO2
SMILES
O=c1oc(-c2ccccc2)nc2ccccc12
Molecular Weight1
223.23
CAS
1022-46-4
Other Names
  • 2-Phenyl-3,1-benzoxazinone-(4)
  • 2-Phenyl-4-[4H]-3,1-benzoxazinone
  • 2-Phenyl-4H-3,1-benzoxazin-4-one
  • 3-Phenyl-1H-2,4-benzoxazin-1-one
  • 3-Phenyl-2,4-benzoxazin-1-one
  • 4H-3,1-Benzoxazin-4-one, 2-phenyl-
  • H-170
  • Linarotox
  • Linurotox
  • NSC 16082
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5540 Relay (1.0) Calculated Property
ΔfG° 105.19 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -37.95 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 103.15 kJ/mol Relay (1.0) Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -4.61 Aq. Solubility Prediction
logPoct/wat 2.855 Crippen Calculated Property
McVol 162.860 ml/mol McGowan Calculated Property
Pc 3827.18 kPa Relay (1.0-beta) Calculated Property
Tboil 664.22 K Relay (1.0) Calculated Property
Tc 947.13 K Relay (1.0) Calculated Property
Tfus 401.17 K Relay (1.0) Calculated Property
Vc 0.626 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 463.70 K 1.00 NIST

Similar Compounds

2-Phenyl-3,1-benzoxazin-4-one. 4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl-. 4H-3,1-Benzoxazine-4-one, 2-pentafluoroethyl-. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Zederone. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. (5R,6S,8S,Z)-8-Methoxy-3,6,10-trimethyl-4-oxo-4,5,6,7,8,11-hexahydrocyclodeca[b]furan-5-yl acetate. Mebhydroline M (nor), acetylated. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2.

Find more compounds similar to Bentranil.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.