CCl4
Carbon tetrachloride · Tetrachloromethane, Carbon tet, Benzinoform
Carbon tetrachloride is a stable, insulating molecular compound historically used as a solvent and chemical reagent.
About Carbon tetrachloride
Carbon tetrachloride is a simple molecular compound consisting of a central carbon atom bonded to four chlorine atoms. It is recognized for its thermodynamic stability and acts as an insulating material with a wide electronic band gap, making it a distinct subject of study in molecular chemistry.
Historically, this compound has been widely utilized due to its effectiveness as a non-polar solvent. Its chemical properties have made it a foundational substance in various synthetic processes, although its use has evolved significantly due to environmental and safety considerations.
Key Properties
Cross-validated computational properties for Carbon tetrachloride, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for CCl4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.51 | 0.0000 | -7.077 | 1.89 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.61 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.33 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.51 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.35 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.81 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.12 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.05 |
| Immm (No. 71) | Orthorhombic | — | — | — | 4.18 |
| P1 (No. 1) | Triclinic | — | — | — | 2.36 |
Applications
Where Carbon tetrachloride is used.
Frequently Asked Questions
Common questions about Carbon tetrachloride, answered from cross-validated data.
What is CCl4?
Carbon tetrachloride is a stable, insulating molecular compound historically used as a solvent and chemical reagent.
What is CCl4 used for?
What is the band gap of CCl4?
Is CCl4 a metal, semiconductor, or insulator?
Is CCl4 thermodynamically stable?
What is the crystal structure of CCl4?
What is the density of CCl4?
How many polymorphs of CCl4 are known?
What elements does CCl4 contain?
Where does the data for CCl4 come from?
How It Compares
As a standalone molecular compound, carbon tetrachloride serves as a primary reference point for halogenated hydrocarbons. It represents a stable, insulating molecular architecture that defines the baseline for reactivity and physical behavior in simple carbon-chlorine systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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