- InChI
- InChI=1S/C10H10Cl8/c11-2-8(7(15)16)4-1-10(17,18)9(8,3-12)6(14)5(4)13/h4-7H,1-3H2
- InChI Key
- YNEKMCSWRMRXIR-UHFFFAOYSA-N
- Formula
- C10H10Cl8
- SMILES
-
ClCC1(C(Cl)Cl)C2CC(Cl)(Cl)C1(C
Cl)C(Cl)C2Cl - Molecular Weight1
- 413.81
- CAS
- 58002-19-0
- Other Names
-
- 2,2,5,6-Tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)bicyclo[2.2.1]heptane, (5-endo,6-exo,7-syn)-
- 2,2,5-endo,6-exo,8,8,9,10-octachlorobornane
- 2,2,5-endo,6-exo,8c,9b,9c,10a-octachlorobornane
- Bicyclo[2.2.1]heptane, 2,2,5,6-tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)-, (5-endo,6-exo,7-syn)-
- Parlar 42b
- rel-(1R,4R,5R,6R,7R)-2,2,5,6-tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)bicyclo[2.2.1]heptane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4024 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.663 | Crippen Calculated Property | |
| McVol | 227.960 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [2373.20; 2373.20] |
|
|
| Inp | 2373.20 | NIST | |
| Inp | 2373.20 | NIST | |
| Tboil | 589.12 | K | Relay (1.0) Calculated Property |
| Tc | 914.42 | K | Relay (1.0) Calculated Property |
| Tfus | 371.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.07; 605.56] | J/mol×K | [726.99; 988.40] |
|
| Cp,gas | 508.07 | J/mol×K | 726.99 | Joback Calculated Property |
| Cp,gas | 520.99 | J/mol×K | 770.56 | Joback Calculated Property |
| Cp,gas | 534.50 | J/mol×K | 814.13 | Joback Calculated Property |
| Cp,gas | 549.15 | J/mol×K | 857.69 | Joback Calculated Property |
| Cp,gas | 565.50 | J/mol×K | 901.26 | Joback Calculated Property |
| Cp,gas | 584.12 | J/mol×K | 944.83 | Joback Calculated Property |
| Cp,gas | 605.56 | J/mol×K | 988.40 | Joback Calculated Property |
| Pvap | 1.51e-06 | kPa | 298.15 | Vapor Pressures and Enthalpies of Vaporization for Toxaphene Congeners |
Similar Compounds
Find more compounds similar to 2,2,5-Endo,6-exo,8,9,9,10-octachlorobornane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Enthalpies of Vaporization for Toxaphene Congeners
- Joback Method
- McGowan Method
- NIST Webbook
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