Chemical Properties of Heptachlor epoxide (CAS 1024-57-3)

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

1024-57-3

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
• 1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-endo-methanoindan

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	[2012.00; 2015.00]
Inp	2012.00		NIST
Inp	2012.00		NIST
Inp	2015.00		NIST
Inp	2012.00		NIST
I	[2828.00; 2828.00]
I	2828.00		NIST
I	2828.00		NIST
I	2828.00		NIST
Tboil	731.01	K	Joback Calculated Property
Tc	1003.31	K	Joback Calculated Property
Tfus	[436.00; 439.00]	K
Tfus	439.00 ± 1.00	K	NIST
Tfus	436.00 ± 0.20	K	NIST
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
ΔfusH	2.85	kJ/mol	434.90	NIST
ΔvapH	75.00	kJ/mol	398.00	NIST

Similar Compounds

Find more compounds similar to Heptachlor epoxide.

Sources

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

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