Chemical Properties of 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»)- (CAS 27304-13-8)

InChI

InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H

InChI Key

VWGNQYSIWFHEQU-UHFFFAOYSA-N

Formula

C10H4Cl8O

SMILES

ClC1=C(Cl)C2(Cl)C3C4OC4(Cl)C(Cl)C3C1(Cl)C2(Cl)Cl

Molecular Weight¹

423.76

CAS

27304-13-8

Other Names

• 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, exo,endo-
• 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-
• Octachlor epoxide
• Oxychlordan
• Oxychlordane
• 2,3,4,5,6,6A,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno-[1,2-b]oxirene (oxychlordane)

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.3770		Relay (... Calculated Property
ΔfG°	64.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.39	kJ/mol	Joback Calculated Property
ΔvapH°	106.56	kJ/mol	Relay (... Calculated Property
IE	9.52	eV	Relay (... Calculated Property
log10WS	-6.39		Relay (... Calculated Property
logPoct/wat	5.019		Crippen Calculated Property
McVol	207.810	ml/mol	McGowan Calculated Property
Pc	2673.54	kPa	Joback Calculated Property
Inp	[1982.00; 2071.00]
Inp	1982.00		NIST
Inp	2071.00		NIST
Tboil	583.90	K	Relay (... Calculated Property
Tc	935.00	K	Relay (... Calculated Property
Tfus	372.46	K	Relay (... Calculated Property
Vc	0.785	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.71; 597.32]	J/mol×K	[768.68; 1052.88]
Cp,gas	460.71	J/mol×K	768.68	Joback Calculated Property
Cp,gas	472.87	J/mol×K	816.05	Joback Calculated Property
Cp,gas	487.89	J/mol×K	863.41	Joback Calculated Property
Cp,gas	506.81	J/mol×K	910.78	Joback Calculated Property
Cp,gas	530.66	J/mol×K	958.14	Joback Calculated Property
Cp,gas	560.48	J/mol×K	1005.51	Joback Calculated Property
Cp,gas	597.32	J/mol×K	1052.88	Joback Calculated Property
ΔvapH	75.00	kJ/mol	388.00	NIST

Similar Compounds

Find more compounds similar to 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»)-.

Sources

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

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