Chemical Properties of Dieldrin (CAS 60-57-1)

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-/m0/s1

InChI Key

DFBKLUNHFCTMDC-NLUYNBKHSA-N

Formula

C12H8Cl6O

SMILES

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

Molecular Weight¹

380.91

CAS

60-57-1

Other Names

• (1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
• 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,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-exo-5,8-dimethanonaphthalene (dieldrin)
• 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,exo-1,4:5,8-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,exo-
• 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-, (1aR,2R,2aS,3S,6R,6aR,7S,7aS)-rel-
• 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«alpha»,3«beta»,6«beta»,6a«alpha»,7«beta»,7a«alpha»)-
• Aldrin epoxide
• Alvit
• Alvit 55
• Compd. 497
• Compound 497
• Deildrin
• Dieldrex
• Dieldrine
• Dieldrite
• Dielmoth
• Dildrin
• Dorytox
• ENT 16,225
• ENT-16225
• HEOD
• Hexachloroepoxyoctahydro-endo,exo-dimethanonaphthalene
• Illoxol
• Insectlack
• Kombi-Albertan
• Mixture containing 85 percent of 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-exo-5,8-endo-dimethanonaphthalene
• Moth Snub D
• NCI-C00124
• Octalox
• Panoram D-31
• Red Shield
• SD 3417
• Shelltox
• Termitox
• exo-Dieldrin

• 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_subH : Enthalpy of sublimation 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_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	-6.29		Estimated Solubility
logPoct/wat	4.481		Crippen Calculated Property
McVol	200.650	ml/mol	McGowan Calculated Property
Inp	[2107.00; 2175.00]
Inp	2127.00		NIST
Inp	2169.00		NIST
Inp	2137.00		NIST
Inp	2159.00		NIST
Inp	2170.00		NIST
Inp	2107.00		NIST
Inp	2111.00		NIST
Inp	2114.00		NIST
Inp	2108.00		NIST
Inp	2111.00		NIST
Inp	2114.00		NIST
Inp	2110.45		NIST
Inp	2112.80		NIST
Inp	2118.88		NIST
Inp	2125.66		NIST
Inp	2120.14		NIST
Inp	2132.97		NIST
Inp	2132.35		NIST
Inp	2150.00		NIST
Inp	2175.00		NIST
Inp	2109.00		NIST
Inp	2139.00		NIST
Inp	2140.00		NIST
Inp	2139.00		NIST
Inp	2110.00		NIST
Inp	2170.00		NIST
Inp	2175.00		NIST
Inp	2150.00		NIST
Inp	2107.00		NIST
Inp	2114.00		NIST
Inp	2120.14		NIST
Ip	[3103.00; 3103.00]
Ip	3103.00		NIST
Ip	3103.00		NIST
Tfus	[448.00; 453.00]	K
Tfus	448.00 ± 1.00	K	NIST
Tfus	453.00 ± 1.00	K	NIST
Tfus	452.00 ± 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
ΔfusH	3.04	kJ/mol	452.90	NIST
ΔsubH	[93.80; 98.70]	kJ/mol	[303.00; 328.00]
ΔsubH	98.70	kJ/mol	303.00	NIST
ΔsubH	93.80	kJ/mol	328.00	NIST
ΔvapH	82.50	kJ/mol	398.00	NIST

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 Dieldrin.

Sources

• 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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