- InChI
- InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
- InChI Key
- FRCCEHPWNOQAEU-UHFFFAOYSA-N
- Formula
- C10H5Cl7
- SMILES
-
ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1
(Cl)C2(Cl)Cl - Molecular Weight1
- 373.32
- CAS
- 76-44-8
- Other Names
-
- 1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene
- 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endo-methyleneindene
- 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene
- 1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene
- 1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen
- 1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden
- 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7,7a-tetrahydro-4,7-methylene indene
- 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene
- 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene (heptachlor)
- 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene
- 1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane
- 3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene
- 3-Chlorochlordene
- 3a,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene
- 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-
- 4,7-Methanoindene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-
- Aahepta
- Agroceres
- Arbinex 30TN
- Dicyclopentadiene, 3,4,5,6,7,8,8a-heptachloro-
- Drinox H-34
- E 3314
- ENT 15,152
- Eptacloro
- GPKh
- H-34
- H-60
- Hepta
- Heptachloor
- Heptachlorane
- Heptachlore
- Heptachlorotetrahydro-4,7-methanoindene
- Heptagran
- Heptamul
- Heptox
- Latka 104
- NCI-C00180
- NSC 8930
- Rcra waste number P059
- Rhodiachlor
- Technical heptachlor
- Velsicol 104
- Velsicol heptachlor
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 29.33 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Estimated Solubility | |
| logPoct/wat | 5.242 | Crippen Calculated Property | |
| McVol | 196.260 | ml/mol | McGowan Calculated Property |
| Inp | [1841.00; 1930.00] |
|
|
| Inp | 1889.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Inp | 1891.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1867.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1867.00 | NIST | |
| Inp | 1870.00 | NIST | |
| Inp | 1860.70 | NIST | |
| Inp | 1886.10 | NIST | |
| Inp | Outlier 1930.00 | NIST | |
| Inp | 1922.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 1870.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Inp | 1890.00 | NIST | |
| I | [2484.00; 2505.00] |
|
|
| I | 2484.00 | NIST | |
| I | 2505.00 | NIST | |
| I | 2505.00 | NIST | |
| Tfus | [366.00; 369.00] | K |
|
| Tfus | 366.00 ± 1.00 | K | NIST |
| Tfus | 369.00 ± 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 | [413.89; 501.75] | J/mol×K | [709.89; 989.11] |
|
| Cp,gas | 413.89 | J/mol×K | 709.89 | Joback Calculated Property |
| Cp,gas | 424.05 | J/mol×K | 756.43 | Joback Calculated Property |
| Cp,gas | 435.03 | J/mol×K | 802.96 | Joback Calculated Property |
| Cp,gas | 447.56 | J/mol×K | 849.50 | Joback Calculated Property |
| Cp,gas | 462.37 | J/mol×K | 896.04 | Joback Calculated Property |
| Cp,gas | 480.19 | J/mol×K | 942.57 | Joback Calculated Property |
| Cp,gas | 501.75 | J/mol×K | 989.11 | Joback Calculated Property |
| ΔfusH | [2.09; 20.72] | kJ/mol | [362.20; 371.00] |
|
| ΔfusH | 20.72 | kJ/mol | 362.20 | NIST |
| ΔfusH | 2.09 | kJ/mol | 371.00 | NIST |
| ΔvapH | 76.50 | kJ/mol | 398.00 | NIST |
Similar Compounds
Find more compounds similar to Heptachlor.
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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