CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [TCI America MSDS] |
|---|---|
| Vapor Pressure | 57.9 [mmHg] |
| Kovats Retention Index | 684.7 679.79 680.52 683 682.17 682.2 683 683 683.88 684.72 685.24 683 682 685.9 683 687.3 687 687.4 687.4 687.4 687.9 686.4 687.5 685.5 686.1 686.6 687.2 687 687.4 682 686 686 686 679 688 691 688 686 683 688 686 683.9 687 687 684.8 684.2 683 687 682.4 680.7 685 687 682 683 686 682 686 687 692 692 681 |
| 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 | 21.5 |
| 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
3-ethylpentane is an alkane that is pentane substituted by an ethyl group at position 3. It has a role as a bacterial metabolite and a human metabolite. It is an alkane and a volatile organic compound.