Chemical Properties of Heptachlor (CAS 76-44-8)

InChI

InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H

InChI Key

FRCCEHPWNOQAEU-UHFFFAOYSA-N

Formula

C10H5Cl7

SMILES

ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl

Molecular Weight¹

373.32

CAS

76-44-8

Other Names

• 1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene
• 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endo-methyleneindene
• 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene
• 1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene
• 1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen
• 1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden
• 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7,7a-tetrahydro-4,7-methylene indene
• 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene
• 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene (heptachlor)
• 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene
• 1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane
• 3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene
• 3-Chlorochlordene
• 3a,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene
• 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-
• 4,7-Methanoindene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-
• Aahepta
• Agroceres
• Arbinex 30TN
• Dicyclopentadiene, 3,4,5,6,7,8,8a-heptachloro-
• Drinox H-34
• E 3314
• ENT 15,152
• Eptacloro
• GPKh
• H-34
• H-60
• Hepta
• Heptachloor
• Heptachlorane
• Heptachlore
• Heptachlorotetrahydro-4,7-methanoindene
• Heptagran
• Heptamul
• Heptox
• Latka 104
• NCI-C00180
• NSC 8930
• Rcra waste number P059
• Rhodiachlor
• Technical heptachlor
• Velsicol 104
• Velsicol heptachlor

• 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_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).
• 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.
• 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
ω	0.2980		Relay (1.0) Calculated Property
ΔfG°	121.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-32.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.33	kJ/mol	Joback Calculated Property
ΔvapH°	93.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-6.32		Estimated Solubility
logPoct/wat	5.242		Crippen Calculated Property
McVol	196.260	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[1841.00; 1930.00]
Inp	1889.00		NIST
Inp	1910.00		NIST
Inp	1891.00		NIST
Inp	1890.00		NIST
Inp	1861.00		NIST
Inp	1863.00		NIST
Inp	1865.00		NIST
Inp	1867.00		NIST
Inp	1861.00		NIST
Inp	1863.00		NIST
Inp	1866.00		NIST
Inp	1867.00		NIST
Inp	1870.00		NIST
Inp	1860.70		NIST
Inp	1886.10		NIST
Inp	Outlier 1930.00		NIST
Inp	Outlier 1922.00		NIST
Inp	1920.00		NIST
Inp	1841.00		NIST
Inp	1873.00		NIST
Inp	1870.00		NIST
Inp	1873.00		NIST
Inp	1890.00		NIST
Inp	1880.00		NIST
Inp	1890.00		NIST
Inp	1861.00		NIST
Inp	1863.00		NIST
I	[2484.00; 2505.00]
I	2484.00		NIST
I	2505.00		NIST
I	2505.00		NIST
Tboil	580.63	K	Relay (1.0) Calculated Property
Tc	878.38	K	Relay (1.0) Calculated Property
Tfus	[366.00; 369.00]	K
Tfus	366.00 ± 1.00	K	NIST
Tfus	369.00 ± 0.20	K	NIST
Vc	0.687	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.85; 501.60]	J/mol×K	[709.69; 988.83]
Cp,gas	413.85	J/mol×K	709.69	Joback Calculated Property
Cp,gas	424.00	J/mol×K	756.21	Joback Calculated Property
Cp,gas	434.97	J/mol×K	802.74	Joback Calculated Property
Cp,gas	447.49	J/mol×K	849.26	Joback Calculated Property
Cp,gas	462.28	J/mol×K	895.78	Joback Calculated Property
Cp,gas	480.08	J/mol×K	942.31	Joback Calculated Property
Cp,gas	501.60	J/mol×K	988.83	Joback Calculated Property
ΔfusH	[2.09; 20.72]	kJ/mol	[362.20; 371.00]
ΔfusH	20.72	kJ/mol	362.20	NIST
ΔfusH	2.09	kJ/mol	371.00	NIST
ΔvapH	76.50	kJ/mol	398.00	NIST

Similar Compounds

Find more compounds similar to Heptachlor.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Estimated Solubility 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.