CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | O-toluic acid appears as pale yellow crystals or off-white flaky solid. (NTP, 1992) |
|---|---|
| Boiling Point | 496 to 498 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 225 to 226 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 1.062 at 239 °F (NTP, 1992) - Denser than water; will sink |
| LogP | 2.46 |
| Kovats Retention Index | 1229.3 |
| Chemical Classes | Other Classes -> Organic Acids |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.15 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 136.052429494 g/mol |
| Monoisotopic Mass | 136.052429494 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 131 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
O-toluic acid appears as pale yellow crystals or off-white flaky solid. (NTP, 1992)