CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 90 °C |
| Melting Point | -118 °C |
| Flash Point | -18 °C c.c. |
| Solubility | Solubility in water: none |
| Density | Relative density (water = 1): 0.68 |
| Vapor Density | Relative vapor density (air = 1): 3.4 |
| Vapor Pressure | 66.0 [mmHg] |
| Autoignition Temperature | 220 °C |
| Kovats Retention Index | 664.8 656.8 657.59 662.9 658.98 656.9 659.6 660.46 660.54 667 661.02 661.15 661 667.4 667.4 667.7 663 659 666.9 667.3 667.6 665 667 664.7 667.7 667.8 667.8 667.8 667.8 671 665 667.6 667.6 667.7 668.1 668 668 666 667 667 667.1 667.4 667.5 667.6 666 666 666 667 667 667 667.8 667.8 667 659 667 667 668 663 668.35 668.68 669.01 669.5 669.95 668 667 668 667 667 662.5 669 664.5 667 667 664.2 668.5 658.18 663 666 664.2 664 666.4 658.7 666 667 667 662 662 667 667 664 659 667 667 667 676 676 654 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 100.20 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.125200510 g/mol |
| Monoisotopic Mass | 100.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 29 |
| 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
2-Methylhexane is a natural product found in Apium graveolens with data available.