CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-propyl nitrate appears as a white to straw-colored liquid with an ether-like odor. About the same density as water and insoluble in water. Flash point 70 °F. Vapors heavier than air. Used as a fuel. Shock sensitive. The shock sensitivity is removed by addition of 1-2% of propane, butane, chloroform, ethyl ether, or methyl ether. |
|---|---|
| Color/Form | Pale yellow liquid |
| Odor | Sweet sickly odor |
| Boiling Point | 231 °F at 760 mmHg (USCG, 1999) |
| Melting Point | less than -150 °F (USCG, 1999) |
| Flash Point | 68 °F (USCG, 1999) |
| Solubility | Slight (NIOSH, 2023) |
| Density | 1.06 (USCG, 1999) - Denser than water; will sink |
| Vapor Density | Relative vapor density (air = 1): 3.6 |
| Vapor Pressure | 18 mmHg (NIOSH, 2023) |
| LogP | log Kow = 1.74 /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.27X10-3 atm-cu m/mole @ 25 °C |
| Stability/Shelf Life | The shock-sensitive nitrate is desensitised by 1-2% of propane, butane, chloroform, dimethyl ether or diethyl ether. |
| Autoignition Temperature | 347 °F (USCG, 1999) |
| Ionization Potential | 11.07 eV |
| Odor Threshold | Odor Threshold Low: 50.0 [mmHg] Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards" |
| Refractive Index | Index of refraction = 1.3979 @ 20 °C |
| Kovats Retention Index | 700 |
| Other Experimental Properties | Heating may cause it to explode |
| Chemical Classes | Nitrogen Compounds -> Nitrates and Nitrites |
COMPUTED DESCRIPTORS
| Molecular Weight | 105.09 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 105.042593085 g/mol |
| Monoisotopic Mass | 105.042593085 g/mol |
| Topological Polar Surface Area | 55 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 57.7 |
| 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
N-propyl nitrate appears as a white to straw-colored liquid with an ether-like odor. About the same density as water and insoluble in water. Flash point 70 °F. Vapors heavier than air. Used as a fuel. Shock sensitive. The shock sensitivity is removed by addition of 1-2% of propane, butane, chloroform, ethyl ether, or methyl ether.