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_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 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.49	kJ/mol	Joback Calculated Property
log10WS	-6.08		Relay (1.0) Calculated Property
logPoct/wat	4.453		Crippen Calculated Property
McVol	195.570	ml/mol	McGowan 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
Tfus	[436.00; 439.00]	K
Tfus	439.00 ± 1.00	K	NIST
Tfus	436.00 ± 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	[446.76; 543.13]	J/mol×K	[731.21; 1003.59]
Cp,gas	446.76	J/mol×K	731.21	Joback Calculated Property
Cp,gas	457.45	J/mol×K	776.61	Joback Calculated Property
Cp,gas	469.29	J/mol×K	822.00	Joback Calculated Property
Cp,gas	483.04	J/mol×K	867.40	Joback Calculated Property
Cp,gas	499.43	J/mol×K	912.79	Joback Calculated Property
Cp,gas	519.21	J/mol×K	958.19	Joback Calculated Property
Cp,gas	543.13	J/mol×K	1003.59	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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.