Benzoic Acid
An aromatic carboxylic acid, C7H6O2, 122.123 g/mol. Boiling point 249.2 °C, melting point 122.4 °C, as published.
Identifiers
- Molecular formula
- C₇H₆O₂
- Molecular weight
- 122.123 g/mol
- Exact mass
- 122.036779 g/mol
- IUPAC name
- benzoic acid
- O=C(O)c1ccccc1
- InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
- WPYMKLBDIGXBTP-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 480 °F at 760 mmHg (NTP, 1992)
- 249.2 °C
- Melting Point
- 252.3 °F (NTP, 1992)
- 122.4 °C
- Density
- 1.316 at 82.4 °F (USCG, 1999) - Denser than water; will sink
- 1.2659 g/cu cm at 15 °C
- Solubility
- less than 1 mg/mL at 68 °F (NTP, 1992)
- 3400 mg/L (at 25 °C)
- Vapor Pressure
- 1 mmHg at 205 °F (NTP, 1992)
- 0.00083 [mmHg]
- LogP
- 1.87
- log Kow = 1.87
- Flash Point
- 250 °F (NTP, 1992)
- 250 °F (121 °C) (closed cup)
Calculated properties
- Molecular weight
- 122.12 g/mol
- Exact mass
- 122.03677943 Da
- XLogP3
- 1.9
- Polar surface area
- 37.3 Ų
- Complexity
- 103
- H-bond donors
- 1
- H-bond acceptors
- 2
- logP
- 1.3848
- Topological polar surface area
- 37.3 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 1
- Molar refractivity
- 33.4013 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.6106
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 9
- Total atoms, hydrogen included
- 15
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Carboxylic acid
Aromatic ring
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is benzoic acid.
The sources also call it Dracylic acid, benzenecarboxylic acid, Benzeneformic acid, Carboxybenzene, phenylformic acid, Benzenemethanoic acid, Phenylcarboxylic acid, Retardex, Retarder BA, Tenn-Plas, Salvo liquid.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Benzoic Acid. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
C₈H₁₈ClN₃, 191.706 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
1,5-Naphthyridine-2-carbaldehyde
used as a reactant
C₉H₆N₂O, 158.16 g/mol.
1,8-Diazabicyclo(5.4.0)undec-7-ene
used as a reactant
C₉H₁₆N₂, 152.241 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under B
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C7H6O2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Benzoic Acid for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.