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

Dieldrin

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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]   Show Hide
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
I [3103.00; 3103.00]   Show Hide
I 3103.00 NIST
I 3103.00 NIST
Tfus [448.00; 453.00] K Show Hide
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
Cp,gas [507.75; 619.56] J/mol×K [741.81; 1008.70] Show Hide
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] Show Hide
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

Endrin. Chlordene epoxide. 1,4:5,8-Dimethanonaphthalen-2-ol, 3,5,6,7,8,9,9-heptachloro-1,2,3,4,4a,5,8,8a-octahydro-, (1«alpha»,2«alpha»,3«beta»,4«alpha»,4a«beta»,5«alpha»,8«alpha»,8«beta»)-. Endosulfan ether. Heptachlor epoxide. Heptachlor epoxide. (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methanol. Endolactone. Isobenzan. 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a«alpha»,1b«beta»,2«alpha»,5«alpha»,5a«beta»,6«beta»,6a«alpha»)-. Dibutyl chlorendate. Endosulfan. «alpha»-Endosulfan. «beta»-Endosulfan. «beta»-Endosulfan.

Find more compounds similar to Dieldrin.

Sources

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.