Chemical Properties of Endrin (CAS 72-20-8)

InChI

InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+

InChI Key

DFBKLUNHFCTMDC-GKRDHZSOSA-N

Formula

C12H8Cl6O

SMILES

ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl

Molecular Weight¹

380.91

CAS

72-20-8

Other Names

• 1,2,3,4,10,10-Hexachloro-6,7-Epoxy-1,4,4a,5,6,7,8,8a-octahydro-exo-1,4-exo-5,8-dimethanonaphthalene
• 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,endo-5,8-dimethanonaphthalene
• 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene
• 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-
• 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1a«alpha»,2«beta»,2a«beta»,3«alpha»,6«alpha»,6a«beta»,7«beta»,7a«alpha»)-
• 3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene
• Cmpd. 269
• Compd. 269
• Compound 269
• EN 57
• ENT 17,251
• Endrex
• Endricol
• Endrin isomer
• Endrin mixture
• Endrine
• Experimental Insecticide 269
• Hexachloroepoxyoctahydro-endo,endo-dimethanonaphthalene
• Hexadrin
• Latka 269
• Mendrin
• NA 2761
• NCI-C00157
• Nendrin
• OMS 197
• Oktanex
• Rcra waste number P051
• SD 3419
• SD 3419 Illoxol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• I_p : 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°	40.71	kJ/mol	Joback Calculated Property
log10WS	-6.18		Estimated Solubility
logPoct/wat	4.481		Crippen Calculated Property
McVol	200.650	ml/mol	McGowan Calculated Property
Inp	[2157.00; 2200.00]
Inp	2157.00		NIST
Inp	2200.00		NIST
Inp	2165.00		NIST
Inp	2180.00		NIST
Inp	2165.00		NIST
Inp	2183.00		NIST
Inp	2183.00		NIST
Inp	2165.00		NIST
Ip	[3013.00; 3013.00]
Ip	3013.00		NIST
Ip	3013.00		NIST
Tfus	448.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.31; 613.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.44160e+02
Coefficient B			2.55000e+00
Coefficient C			-3.16070e-03
Coefficient D			1.46880e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.31	J/mol×K	273.00	Calculated Property
Cp,gas	327.42	J/mol×K	353.78	Calculated Property
Cp,gas	387.63	J/mol×K	434.56	Calculated Property
Cp,gas	431.57	J/mol×K	515.33	Calculated Property
Cp,gas	463.91	J/mol×K	596.11	Calculated Property
Cp,gas	489.27	J/mol×K	676.89	Calculated Property
Cp,gas	512.31	J/mol×K	757.67	Calculated Property
Cp,gas	537.67	J/mol×K	838.44	Calculated Property
Cp,gas	570.00	J/mol×K	919.22	Calculated Property
Cp,gas	613.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Endrin.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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