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

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-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.42; 536.46]	J/mol×K	[747.36; 1027.18]
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

Find more compounds similar to Isobenzan.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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