Molar Mass Of Methyl Benzoate

Molecular Weight of METHYL BENZOATE (C8H8O2)

Identification of METHYL BENZOATE Chemical Compound

2D chemical structure image of METHYL BENZOATE

Chemical Formula	C8H8O2
Molecular Weight	136.14792 grand/mol
IUPAC Name	methyl benzoate
SMILES String	COC(=O)c1ccccc1
InChI	InChI=1S/C8H8O2/c1-ten-viii(9)vii-v-3-2-iv-half-dozen-seven/h2-6H,1H3
InChIKey	QPJVMBTYPHYUOC-UHFFFAOYSA-N

Molecular Weight Description

The METHYL BENZOATE molecule consists of viii Hydrogen cantlet(s), 8 Carbon atom(s) and ii Oxygen atom(south) - a total of 18 atom(s). The molecular weight of METHYL BENZOATE is determined by the sum of the diminutive weights of each elective chemical element multiplied past the number of atoms, which is calculated to be:

$$ 136.14792 · \frac{g}{mol} $$

The exact term of the above molecular weight is "tooth 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 tooth mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard diminutive weights of each nuclide, while molar masses are calculated from the diminutive mass of each element. The atomic mass takes into business relationship the isotopic distribution of the element in a given sample.

3D chemical structure image of METHYL BENZOATE — Brawl-and-stick model of METHYL BENZOATE

More Properties of METHYL BENZOATE

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from "Mol-Instincts", a chemical database based on breakthrough mechanics:

Absolute Entropy of Ideal Gas
Acentric Factor
Critical Compressibility Cistron
Critical Pressure
Critical Temperature
Critical Volume
Dipole Moment
Enthalpy of Germination
Enthalpy of Fusion

Gibbs Free energy of Germination
Liquid Tooth Volume
Enthalpy of Combustion
Normal Boiling Point
Radius of Gyration
Refractive Index
Solubility Parameter
Standard State Absolute Entropy
Standard State Enthalpy of Germination

Standard State Gibbs Free energy of Germination
Van Der Waals Area
Van Der Waals Reduced Volume
Magnetic Susceptibility
Ionization Potential
Electron analogousness
Flash Signal
Parachor
Lower Flammability Limit Temperature

Lower Flammability Limit Volume Percent
Upper Flammability Limit Temperature
Upper Flammability Limit Volume Pct
Liquid Density
Estrus of Vaporization at 298.15K
Heat of Vaporization at Normal Boiling Point

Rut Chapters of Ideal Gas
Heat Capacity of Liquid
Heat of Vaporization

Liquid Density
Surface Tension
Thermal Conductivity of Liquid

Thermal Conductivity of Gas
Vapor Pressure of Liquid
Viscosity of Liquid

Viscosity of Gas
Second Virial Coefficient

LogP (Octanol-Water Sectionalization Coefficient)
LogS (Water Solubility)
Number of Acceptor Atoms for H-bonds
Number of Donor Atoms for H-bonds

Ghose-Crippen Molar Refractivity
Ghose-Crippen Octanol-Water Partition Coefficient (logP)
Moriguchi Octanol-Water Partition Coefficient (logP)
Lipinski Alert Index

Drug-likeness
Activity Score for GPCR Ligands
Activity Score for Ion Channel Modulators
Activeness Score for Kinase Inhibitors

Activeness Score for Nuclear Receptor Ligands

IR spectra

NMR spectra

VCD spectra

Quantum Mechanical Analysis
- Quantum Optimized Geometry
- Vibrational Analysis & Blitheness
- Molecular Orbitals (HOMO, LUMO, etc.)

Quantum Mechanical Data (twenty sets)

Molecular Descriptors
- 24 Categories
- Full of 2,004 Sets

Additional Data for Identifying METHYL BENZOATE Molecule

Construction Data File (SDF/MOL File) of METHYL BENZOATE

The structure information file (SDF/MOL File) of METHYL BENZOATE is available for download in the SDF folio of METHYL BENZOATE, which provides the information on atoms, bonds, connectivity and coordinates of METHYL BENZOATE. The METHYL BENZOATE structure data file tin be imported to most of the chemistry-related software, providing iii-dimensional visualization and further assay.
Chemical structure of METHYL BENZOATE

The molecular structure paradigm of METHYL BENZOATE is available in chemic construction page of METHYL BENZOATE, which provides the molecular geometry information, i.eastward., the spatial organization of atoms in METHYL BENZOATE and the chemical bonds that concord the atoms together.
Chemical formula of METHYL BENZOATE

The molecular formula of METHYL BENZOATE is given in chemical formula page of METHYL BENZOATE, which identifies each constituent element past its chemic symbol and indicates the proportionate number of atoms of each chemical element.

InChI (IUPAC International Chemical Identifier) information of METHYL BENZOATE

In addition to the molecular weight information, the structural data of METHYL BENZOATE in a textual expression is available via InChi. The full standard InChI of METHYL BENZOATE is given below:

InChI=1S/C8H8O2/c1-x-8(9)7-5-three-2-four-half-dozen-seven/h2-6H,1H3

Information technology can provide a way to encode the molecular information of METHYL BENZOATE to facilitate the search for the compound information in databases and on the spider web.

The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of METHYL BENZOATE is:

InChIKey=QPJVMBTYPHYUOC-UHFFFAOYSA-N

It may let easier web searches for METHYL BENZOATE. The InChIKey, however, needs to be linked to the total InChI also in social club to become back to the original structure of the METHYL BENZOATE as the full standard InChI cannot be reconstructed from the InChIKey.

Other names (synonyms) or registry numbers of METHYL BENZOATE

In that location may be different names of the METHYL BENZOATE compound depending on the various situations of industrial applications, which are given beneath including the registry numbers if available:
- BBV-42301974
- 1082718-77-1
- F0001-2239
- Z19825577
- Methyl benzoate [UN2938] [Proceed away from food]
- J-522592
- I01-2293
- Methyl benzoate [UN2938] [Keep away from food]
- A844641
- Methyl benzoate, natural, >=98%, FCC, FG
- B0074
- Methyl benzoate, for synthesis, 98.0%
- Un 2938
- RTC-060464
- Methyl benzoate, >=98%, FCC, FG
- METHYL BENZOATE-CARBONYL-13C
- ANW-75136
- Methyl benzoate, analytical standard
- 6618K1VJ9T
- Methyl benzoate, >=99% (GC)
- METHYL,(BENZOYLOXY)-
- Methyl ester of benzoic acid
- Methyl benzoate, 99%
- benzoic acrid methylester
- benzoic acrid methyl
- CAS-93-58-three
- MFCD00008421
- Methylester kyseliny benzoove [Czech]
- FEMA No. 2683
- Methylester kyseliny benzoove
- Methyl benzoate (natural)
- Oxidate le
- Oniobe oil
- Methyl benzenecarboxylate
- Essence of niobe
- Oil of niobe
- Niobe oil
- benzoic acid methyl ester
- Clorius
- Benzoic acid, methyl ester
- Methylbenzoate
- 93-58-3

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METHYL BENZOATE Identification Summary Frequently Asked Questions (FAQs)

What's the formula of METHYL BENZOATE?
C8H8O2
How many atoms and what are the elements in the METHYL BENZOATE molecule?
18 cantlet(due south) - 8 Hydrogen atom(due south), 8 Carbon atom(due south) and 2 Oxygen cantlet(due south)
How many chemical bonds and what types of bonds are in the METHYL BENZOATE structure?
xviii bail(southward) - x non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), half dozen aromatic bond(s), 1 6-membered band(s) and 1 ester(s) (aromatic)
What's the tooth mass of METHYL BENZOATE?
136.14792 yard/mol
What's the SMILES format of METHYL BENZOATE?
COC(=O)c1ccccc1
What's the InChI format of METHYL BENZOATE?
InChI=1S/C8H8O2/c1-x-8(ix)seven-5-3-two-iv-6-vii/h2-6H,1H3
What's the InChIKey cord of METHYL BENZOATE?
QPJVMBTYPHYUOC-UHFFFAOYSA-Due north

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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