Fullerene soot

• CAS: 131159-39-2
• Catalog Number: ACM131159392-2
• Category: Fullerene With High Quality
• Molecular Weight: 720.6g/mol
• Molecular Formula: C60
• IUPAC Name: (C60-Ih)[5,6]fullerene
• Canonical SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23
• InChI: InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
• InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N
• Melting Point: At 260 K, a first-order phase transition from face-centered cubic crystal structure to a simple cubic structure is observed, accompanied by a lattice contraction. ... At 90 K the molecules rearrange to attain the best global minimum. ... At this temperature, the rotational degrees of freedom are frozen, and the solid structure is designated as a pseudo-face-centered cubic crystal structure. C70 Fullerene is rotationally disordered at room temperature and undergoes a transition to a low-temperature phase.
• Density: 1.72 g/cu cm /Solid state/
• Solubility: Virtually insoluble in acetone, ethers, and alcohols;/C60/ is essentially insoluble in polar solvents, sparingly soluble in alkanes. In aromatic solvents and in carbon disulfide appreciable solubilities are observed.;Solubility (in mg/mL) of (60)fullerene: n-pentane 0.005; n-hexane 0.043; cyclohexane 0.036; n-decane 0.071; decalins 4.6; dichloromethane 0.26; carbon disulfide 7.9; dichloromethane 0.26; chloroform 0.16; tetrachloromethane 0.32; tetrahydrofuran 0.0; benzene 1.7; toluene 2.8; tetralin 16; benzonitrile 0.41; anisole 5.6; 1,2-dichlorobenzene 27; 1-methylnaphthalene 33; 1-chloronaphthalene 41; acetone 0.001; methanol 0.0;The solubility of C70 decreases relative to that of C60 ... roughtly 50% of the values for C60 in toluene, chlorobenzene, 1,2-dichlorobenzene, trichloromethane and hexane. Water solubility is greatly increased by the addition of hydroxyl groups either to the cage (giving fullerenols) or having them present in addends;Solubilities in various solvents at 25 °C: ethanol (1.4 mg/L), octanol (42.9 mg/L), distilled octanol (38.9 mg/L), water-saturated octanol (34.7 mg/L), tetrahydrofuran (11 mg/L), toluene (3000 mg/L), water-saturated toluene (2430 mg/L);Calculated solubility in water at 25 °C = 7.42 ng/L (water-phase of water-octanol), based on measured values in octanol (of octanol-water phase) and octanol-water partition coefficient
• Color/Form: Spherical aromatic molecule with a hollow truncated-icosahedron structure, similar to a soccer ball. /C60/;Polyhedral cages made up of entirely five-and six-membered rings ... fullerenes contain 2(10+N) carbon atoms ... the smallest conceivable fullerene is C20, and all fullerenes must contain an even number of carbon atoms.;Solutions of C60 fullerene in hydrocarbon solvents are magenta ... C70 fullerene are port-wine red. In some solvents C76 /and C84/ fullerene gives yellow-green solutions ... C82 fullerene has a less greenish tinge. Solutions of C78 fullerene are golden chestnut brown
• Complexity: 2030
• CompoundIs Canonicalized: Yes
• Content: fullerene content: 13.0wt%
• Covalently-Bonded Unit Count: 1
• Decomposition: Hazardous decomposition products formed under fire conditions. - Carbon oxides. /Fullerene-C60/
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 720g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 60
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: log Kow = 6.67 /Fullerene C60/
• Monoisotopic Mass: 720g/mol
• Other Experimental: Heat of formation: 42.54 kJ/mol per C atom (C60); 40.40 kJ/mol per C atom (C7) ... upon increasing the size of the fullerenes their energy content will asymptotically reach that of graphite;Fullerenes form solvates with many organic solvents.;In solid state, C60 molecules crystallize in a face-centered cubic crystal structure with a lattice constant of 1.417 nm;Seem capable of withstanding great pressure and trapping of foreign atoms inside their network of carbon ... /may be/ capable of magnetism and superconductivity and have potential as a nonlinear optical material. ... reported to remain superconductive at temperatures as high as 45 K.;Capable of enclosing ions or atoms in a host-guest relationship
• Packaging: 50 g
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 0Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: NP9U26B839
• XLogP3: 18

Custom Q&A

What is the PubChem CID for fullerene soot?

The PubChem CID for fullerene soot is 5462310.

What is the molecular formula of fullerene soot?

The molecular formula of fullerene soot is C (carbon).

What is the molecular weight of fullerene soot?

The molecular weight of fullerene soot is 12.011 g/mol.

What is the IUPAC name of fullerene soot?

The IUPAC name of fullerene soot is carbon.

What is the InChI of fullerene soot?

The InChI of fullerene soot is InChI=1S/C.

What is the InChIKey of fullerene soot?

The InChIKey of fullerene soot is OKTJSMMVPCPJKN-UHFFFAOYSA-N.

What is the canonical SMILES of fullerene soot?

The canonical SMILES of fullerene soot is [C].

What is the CAS number of fullerene soot?

The CAS number of fullerene soot is 7440-44-0.

What is the synonym for fullerene soot?

One of the synonyms for fullerene soot is activated charcoal.

What is the description of fullerene soot?

The description of fullerene soot is that it is carbon that has been treated to create small, low-volume pores that increase the surface area available for adsorption.