Chemical Properties of Isobenzan (CAS 297-78-9)

Isobenzan

InChI
InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H
InChI Key
LRWHHSXTGZSMSN-UHFFFAOYSA-N
Formula
C9H4Cl8O
SMILES
ClC1=C(Cl)C2(Cl)C3C(Cl)OC(Cl)C3C1(Cl)C2(Cl)Cl
Molecular Weight1
411.75
CAS
297-78-9
Other Names
  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-
  • CP 14,957
  • ENT 25,545-X
  • Shell WL 1650
  • SD 4402
  • Telodrin
  • WL 1650
  • 948
  • 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
  • ENT 25,545
  • Octachloro-hexahydro-methanoisobenzofuran
  • 1,3,4,5,6,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
  • 1,3,4,5,6,7,8,8-Octachloro-2-oxa-3a,4,7,7a-tetrahydro-4,7-methanoindene
  • 1,3,4,5,6,7,10,10-Octachloro-4,7-endo-methylene-4,7,8,9-tetrahydrophthalan
  • OMS 206
  • Omtan
  • R 6700
  • Shell 4402
  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-
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Physical Properties

Property Value Unit Source
ΔfusH° 38.76 kJ/mol Joback Calculated Property
log10WS -6.08 Relay (1.0) Calculated Property
logPoct/wat 5.224 Crippen Calculated Property
McVol 204.580 ml/mol McGowan Calculated Property
Tfus 395.40 ± 0.20 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [437.42; 536.46] J/mol×K [747.36; 1027.18] Show Hide
Cp,gas 437.42 J/mol×K 747.36 Joback Calculated Property
Cp,gas 448.19 J/mol×K 794.00 Joback Calculated Property
Cp,gas 460.30 J/mol×K 840.63 Joback Calculated Property
Cp,gas 474.48 J/mol×K 887.27 Joback Calculated Property
Cp,gas 491.43 J/mol×K 933.91 Joback Calculated Property
Cp,gas 511.85 J/mol×K 980.54 Joback Calculated Property
Cp,gas 536.46 J/mol×K 1027.18 Joback Calculated Property

Similar Compounds

2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a«alpha»,1b«beta»,2«alpha»,5«alpha»,5a«beta»,6«beta»,6a«alpha»)-. Endosulfan ether. Heptachlor epoxide. Heptachlor epoxide. Endolactone. 5,6-Dihydrouracil riboside, TMS. cyclomegistine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Ni-TETMP complex. Dihydrocodeine tms derivative. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. Ethylmorphine. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Methyldesorphine. Galantamin.

Find more compounds similar to Isobenzan.

Sources

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