CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Odorless solid or liquid with a valerian odor; mp = 29 deg C; [Merck Index] White crystalline solid; mp = 29-31 deg C; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| Melting Point | 31 - 32 °C |
| Solubility | 4.6 mg/mL at 25 °C |
| Density | 1.029-1.037 |
| Vapor Pressure | 0.03 [mmHg] |
| LogP | 1.96 |
| Refractive Index | 1.516-1.520 |
| Kovats Retention Index | 1157 1127 1114.6 1124.4 |
| Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.17 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.083729621 g/mol |
| Monoisotopic Mass | 128.083729621 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 104 |
| 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
Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.