Chemical Properties of Heptachlor epoxide (CAS 66240-71-9)

InChI

InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H

InChI Key

ZXFXBSWRVIQKOD-UHFFFAOYSA-N

Formula

C10H5Cl7O

SMILES

ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl

Molecular Weight¹

389.32

CAS

66240-71-9

Other Names

• 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a«alpha»,1b«beta»,2«alpha»,5«alpha»,5a«beta»,6«beta»,6a«alpha»)-
• 4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-
• Epoxyheptachlor
• ENT 25,584
• HCE
• Velsicol 53-CS-17
• 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindane
• 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-,(1aR,1bS,2R,5S,5aR,6S,6aR)-rel-
• Heptachlore epoxide

• 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).
• 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.
• I : 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
ΔfG°	82.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-195.35	kJ/mol	Joback Calculated Property
ΔfusH°	39.49	kJ/mol	Joback Calculated Property
ΔvapH°	69.47	kJ/mol	Joback Calculated Property
log10WS	-5.27		Crippen Calculated Property
logPoct/wat	4.453		Crippen Calculated Property
McVol	195.570	ml/mol	McGowan Calculated Property
Pc	2651.56	kPa	Joback Calculated Property
Inp	[1993.00; 2080.00]
Inp	2023.00		NIST
Inp	2040.00		NIST
Inp	2015.00		NIST
Inp	1993.00		NIST
Inp	1997.00		NIST
Inp	1999.00		NIST
Inp	2002.00		NIST
Inp	1993.00		NIST
Inp	1997.00		NIST
Inp	1999.00		NIST
Inp	2003.00		NIST
Inp	Outlier 2080.00		NIST
Inp	Outlier 2072.00		NIST
Inp	2015.00		NIST
Inp	2023.00		NIST
Inp	1993.00		NIST
Inp	1997.00		NIST
I	2805.00		NIST
Tboil	731.01	K	Joback Calculated Property
Tc	1003.31	K	Joback Calculated Property
Tfus	594.29	K	Joback Calculated Property
Vc	0.771	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.71; 542.97]	J/mol×K	[731.01; 1003.31]
Cp,gas	446.71	J/mol×K	731.01	Joback Calculated Property
Cp,gas	457.39	J/mol×K	776.39	Joback Calculated Property
Cp,gas	469.23	J/mol×K	821.78	Joback Calculated Property
Cp,gas	482.96	J/mol×K	867.16	Joback Calculated Property
Cp,gas	499.33	J/mol×K	912.54	Joback Calculated Property
Cp,gas	519.09	J/mol×K	957.93	Joback Calculated Property
Cp,gas	542.97	J/mol×K	1003.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptachlor epoxide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.