CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Hawley] |
|---|---|
| Color/Form | Colorless liquid |
| Boiling Point | 173.5 °C |
| Melting Point | -82.7 °C |
| Flash Point | 126 °F (52 °C) closed cup |
| Solubility | In water, 17.6 mg/L @ 25 °C |
| Density | 0.8580 g/cu cm @ 25 °C |
| Vapor Density | 4.62 (Air=1) |
| Vapor Pressure | 1.75 [mmHg] |
| LogP | log Kow = 4.57 |
| Henry's Law Constant | Henry's Law constant = 0.018 atm-cu m/mol @ 25 °C /Estimated/ |
| Optical Rotation | Specific optical rotation at 25 °C for the D (sodium) line: +26.6 deg /D-isomer/ |
| Heat of Vaporization | 47.98 kJ/mol @ 25 °C |
| Surface Tension | 0.02852 N/m @ 20 °C; 0.02803 N/m @ 25 °C; 0.02754 N/m @ 30 °C |
| Refractive Index | Index of refraction = 1.48980 @ 20 °C |
| Kovats Retention Index | 992.1 994.1 994.7 999.1 996.5 996.78 997 995 997.9 995 997 998 1004.9 1010.9 1004 1005 1005 1006 1000 1004 1004 1006 1007 992.8 993.3 997 1000 1017 1006 1012 1019 995 1005.7 1011.9 1019.2 1015 993.1 993.1 984 997 1000 997 1034.7 1011 997 1012.8 1003.9 1014.7 1006 993 996 1008.2 977.2 997.5 998 1006 997 995 994 997 994 1005 1008.7 1010.7 1012 993 996 997 1002 1020 |
| Other Experimental Properties | Relative permittivity = 2.357 @ 93.2 K |
| Chemical Classes | Solvents -> Aromatic Solvents |
COMPUTED DESCRIPTORS
| Molecular Weight | 134.22 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.109550447 g/mol |
| Monoisotopic Mass | 134.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 80 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sec-butylbenzene is an alkylbenzene that is benzene substituted by a butan-2-yl group.