SDF/Mol File of TETRATETRACONTANE (C44H90)

Structure Data File (SDF/MOL File) Description

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More Properties of TETRATETRACONTANE

For physicochemical, thermodynamic, and other property data & information, the followings are available from “ChemRTP”, a real-time chemical predictor based on an advanced QSPR:

• Absolute Entropy of Ideal Gas
• Acentric Factor
• Critical Compressibility Factor
• Critical Pressure
• Critical Temperature
• Critical Volume
• Enthalpy of Formation for Ideal Gas
• Liquid Molar Volume

• Enthalpy of Combustion
• Normal Boiling Point
• Melting Point
• Refractive Index
• Solubility Parameter
• Standard State Absolute Entropy
• Standard State Enthalpy of Formation
• Magnetic Susceptibility

• Polarizability
• Flash Point
• Parachor
• Lower Flammability Limit Temperature
• Lower Flammability Limit Volume Percent
• Upper Flammability Limit Temperature
• Upper Flammability Limit Volume Percent
• Liquid Density at Normal Boiling Point

• Heat of Vaporization at 298.15K
• Heat of Vaporization at Normal Boiling Point

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Additional Information for Identifying TETRATETRACONTANE Molecule

• Chemical structure of TETRATETRACONTANE

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of TETRATETRACONTANE is available in chemical structure page of TETRATETRACONTANE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of TETRATETRACONTANE

  The molecular weight of TETRATETRACONTANE is available in molecular weight page of TETRATETRACONTANE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of TETRATETRACONTANE

  The chemical formula of TETRATETRACONTANE is given in chemical formula page of TETRATETRACONTANE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of TETRATETRACONTANE

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of TETRATETRACONTANE is:

  InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3

  It can provide a standard way to encode the molecular information of TETRATETRACONTANE 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 TETRATETRACONTANE is:

  InChIKey=KMXFZRSJMDYPPG-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for TETRATETRACONTANE, but it needs to be linked to the full InChI to get back to the original structure of the TETRATETRACONTANE since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of TETRATETRACONTANE

  The TETRATETRACONTANE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of TETRATETRACONTANE including the registry numbers are listed below, if available:

  • 1208B570-4CB6-48FD-9F3F-67129C995357
  • I14-19547
  • C-52526
  • Tetratetracontane, purum, >=95.0% (GC)
  • 7098-22-8
  • n-Tetratetracontane
  • MFCD00015268
  • ANW-35980
  • Tetratetracontane, 99%
  • Tetratetracontane, analytical standard

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TETRATETRACONTANE Identification Summary Frequently Asked Questions (FAQs)

What’s the TETRATETRACONTANE formula?
C44H90
How many atoms and what elements are included in the TETRATETRACONTANE molecule?
134 atom(s) - 90 Hydrogen atom(s) and 44 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the TETRATETRACONTANE structure?
133 bond(s) - 43 non-H bond(s) and 41 rotatable bond(s)
What’s the TETRATETRACONTANE’s molar mass?
619.1854 g/mol
What’s the SMILES structure of TETRATETRACONTANE?
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
What’s the InChI code of TETRATETRACONTANE?
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
What’s the InChIKey format of TETRATETRACONTANE?
KMXFZRSJMDYPPG-UHFFFAOYSA-N

407 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 SQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2022).