Molecular Weight of Tridecyl Benzoate (C20H32O2)
Identification of Tridecyl Benzoate Chemical Compound
| Chemical Formula | C20H32O2 |
|---|---|
| Molecular Weight | 304.46688 g/mol |
| IUPAC Name | tridecyl benzoate |
| SMILES String | CCCCCCCCCCCCCOC(=O)c1ccccc1 |
| InChI | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3 |
| InChIKey | PHXPEXIJLNFIBR-UHFFFAOYSA-N |
Molecular Weight Description
The Tridecyl Benzoate molecule consists of 32 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s) - a total of 54 atom(s). The molecular weight of Tridecyl Benzoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 304.46688 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Tridecyl Benzoate Molecule
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Structure Data File (SDF/MOL File) of Tridecyl Benzoate
The structure data file (SDF/MOL File) of Tridecyl Benzoate is available for download in the SDF page of Tridecyl Benzoate, which provides the information on atoms, bonds, connectivity and coordinates of Tridecyl Benzoate. The Tridecyl Benzoate structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Tridecyl Benzoate
The molecular structure image of Tridecyl Benzoate is available in chemical structure page of Tridecyl Benzoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Tridecyl Benzoate and the chemical bonds that hold the atoms together.
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Chemical formula of Tridecyl Benzoate
The molecular formula of Tridecyl Benzoate is given in chemical formula page of Tridecyl Benzoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Tridecyl Benzoate
In addition to the molecular weight information, the structural information of Tridecyl Benzoate in a textual expression is available via InChi. The full standard InChI of Tridecyl Benzoate is given below:
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3
It can provide a way to encode the molecular information of Tridecyl Benzoate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Tridecyl Benzoate is:
InChIKey=PHXPEXIJLNFIBR-UHFFFAOYSA-N
It may allow easier web searches for Tridecyl Benzoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Tridecyl Benzoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Tridecyl Benzoate
There may be different names of the Tridecyl Benzoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Benzoic acid, tridecyl ester
- G1OS0ZG42I
- Benzoic acid tridecyl ester
Tridecyl Benzoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Tridecyl Benzoate? |
|---|
| C20H32O2 |
| How many atoms and what are the elements in the Tridecyl Benzoate molecule? |
| 54 atom(s) - 32 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Tridecyl Benzoate structure? |
| 54 bond(s) - 22 non-H bond(s), 7 multiple bond(s), 14 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ester(s) (aromatic) |
| What’s the molar mass of Tridecyl Benzoate? |
| 304.46688 g/mol |
| What’s the SMILES format of Tridecyl Benzoate? |
| CCCCCCCCCCCCCOC(=O)c1ccccc1 |
| What’s the InChI format of Tridecyl Benzoate? |
| InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3 |
| What’s the InChIKey string of Tridecyl Benzoate? |
| PHXPEXIJLNFIBR-UHFFFAOYSA-N |
142
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).