C38H68
This compound is a high-molecular-weight hydrocarbon belonging to the class of polyenes or long-chain alkenes. It is primarily studied in the context of organic synthesis and as a model molecule for understanding the physical properties of complex unsaturated hydrocarbons.
Key Properties
Cross-validated computational properties for C38H68, 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 C38H68, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 5.48 | 0.0554 | -5.932 | 0.92 |
| P21 (No. 4) | monoclinic | 5.68 | 0.0604 | -5.927 | 1.08 |
| — | — | — | — | — | 0.95 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where C38H68 is used.
Frequently Asked Questions
Common questions about C38H68, answered from cross-validated data.
What is C38H68?
This compound is a high-molecular-weight hydrocarbon belonging to the class of polyenes or long-chain alkenes. It is primarily studied in the context of organic synthesis and as a model molecule for understanding the physical properties of complex unsaturated hydrocarbons.
What is C38H68 used for?
What is the band gap of C38H68?
Is C38H68 a metal, semiconductor, or insulator?
Is C38H68 thermodynamically stable?
What is the crystal structure of C38H68?
What is the density of C38H68?
How many polymorphs of C38H68 are known?
What elements does C38H68 contain?
Where does the data for C38H68 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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