- InChI
- InChI=1S/C10H11Cl7/c11-2-8(3-12)5-1-10(16,17)9(8,4-13)7(15)6(5)14/h5-7H,1-4H2
- InChI Key
- IPVMCZLCKVSKGC-UHFFFAOYSA-N
- Formula
- C10H11Cl7
- SMILES
-
ClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C
(Cl)C2Cl - Molecular Weight1
- 379.37
- CAS
- 51775-36-1
- Other Names
-
- 2,2,5,6-Tetrachloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]heptane, (5-endo,6-exo)-
- 2,2,5-endo,6-exo,8,9,10-heptachlorobornane
- 2,2,5-endo,6-exo,8c,9b,10a-heptachlorobornane
- 5-endo,6-exo-2,2,5,6-Tetrachloro-1,7,7-tris(chloromethyl)-bicyclo(2.2.1)heptane
- Bicyclo(2.2.1)heptane, 2,2,5,6-tetrachloro-1,7,7-tris(chloromethyl)-, (5-endo,6-exo)-
- Parlar 32
- Sonatox
- Toxaphene 32
- Toxaphene toxicant B
- rel-(1R,4R,5R,6R)-2,2,5,6-tetrachloro-1,7,7-tris(chloromethyl)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 | 0.3999 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.098 | Crippen Calculated Property | |
| McVol | 215.720 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | [2297.20; 2297.20] |
|
|
| Inp | 2297.20 | NIST | |
| Inp | 2297.20 | NIST | |
| Tboil | 579.80 | K | Relay (1.0) Calculated Property |
| Tc | 895.74 | K | Relay (1.0) Calculated Property |
| Tfus | 387.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.60; 574.45] | J/mol×K | [690.00; 944.04] |
|
| Cp,gas | 485.60 | J/mol×K | 690.00 | Joback Calculated Property |
| Cp,gas | 498.45 | J/mol×K | 732.34 | Joback Calculated Property |
| Cp,gas | 511.40 | J/mol×K | 774.68 | Joback Calculated Property |
| Cp,gas | 524.96 | J/mol×K | 817.02 | Joback Calculated Property |
| Cp,gas | 539.65 | J/mol×K | 859.36 | Joback Calculated Property |
| Cp,gas | 555.98 | J/mol×K | 901.70 | Joback Calculated Property |
| Cp,gas | 574.45 | J/mol×K | 944.04 | Joback Calculated Property |
| Pvap | 2.82e-06 | kPa | 298.15 | Vapor Pressures and Enthalpies of Vaporization for Toxaphene Congeners |
Similar Compounds
Find more compounds similar to Bornane, 2,2,5-endo,6-exo,8,9,10-heptachloro-.
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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