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»)-
• 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_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_subH : Enthalpy of sublimation 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°	183.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.93	kJ/mol	Joback Calculated Property
ΔfusH°	40.71	kJ/mol	Joback Calculated Property
ΔvapH°	69.27	kJ/mol	Joback Calculated Property
log10WS	-6.29		Estimat...
logPoct/wat	4.481		Crippen Calculated Property
McVol	200.650	ml/mol	McGowan Calculated Property
Pc	2520.12	kPa	Joback 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	2107.00		NIST
Inp	2114.00		NIST
Inp	2120.14		NIST
I	[3103.00; 3103.00]
I	3103.00		NIST
I	3103.00		NIST
Tboil	741.81	K	Joback Calculated Property
Tc	1008.70	K	Joback Calculated Property
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
Vc	0.799	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.75; 619.56]	J/mol×K	[741.81; 1008.70]
Cp,gas	507.75	J/mol×K	741.81	Joback Calculated Property
Cp,gas	520.79	J/mol×K	786.29	Joback Calculated Property
Cp,gas	535.04	J/mol×K	830.77	Joback Calculated Property
Cp,gas	551.26	J/mol×K	875.26	Joback Calculated Property
Cp,gas	570.24	J/mol×K	919.74	Joback Calculated Property
Cp,gas	592.75	J/mol×K	964.22	Joback Calculated Property
Cp,gas	619.56	J/mol×K	1008.70	Joback Calculated Property
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

Similar Compounds

Find more compounds similar to Dieldrin.

Sources

• Crippen Method
• Joback Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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