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2,5-Dimethylhexan
DIISOBUTYL · Biisobutyl · 2,5-Dimethylhexane · hexane,2,5-dimethyl- · 2,5-Dimethylhexane,99% · 2,5-Dimethylhexane >2,5-Dimethylhexane in methanol
Identifikatoren & physikalische Daten
| CAS No. | 592-13-2 |
|---|---|
| Summenformel | C8H18 |
| Durchschnittliche Molmasse | 114,23 g/mol |
| Monoisotopische Masse | 114,14085058 g/mol |
| SMILES | CC(C)CCC(C)C |
| InChIKey | UWNADWZGEHDQAB-UHFFFAOYSA-N |
| PubChem CID | 11592 |
| EC No. | 209-745-8 |
| DTXSID | DTXSID4073201 |
| Lokaler Name | 2,5-Dimethylhexan |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 36 |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 30.3 [mmHg]1.1 psi ( 37.7 °C) |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -91 °C |
| Siedepunkt | 108 °C (lit.) |
| Dichte | 0.694 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.392(lit.) |
| Flammpunkt | 80 °F |
| Lagerbedingungen | Flammables area |
| Spezifische Wärmekapazität | Cp(liquid): 2.18 J/(g·K), at 25℃ |
| BRN | 1696877 |
| Henry-Konstante | 3.1×10-6 mol/(m3Pa) at 25℃, Brockbank (2013) |
| InChI | 1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | UWNADWZGEHDQAB-UHFFFAOYSA-N |
| SMILES | CC(C)CCC(C)C |
| LogP (Verteilungskoeffizient) | 4.471 (est) |
| CAS Datenbank | 592-13-2(CAS DataBase Reference) |
| EPA chemische Informationen | 2,5-Dimethylhexane (592-13-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (91.9%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | 2,5-Dimethylhexane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantInhalation may cause drowsiness and dizzinessAn aspiration hazard by ingestion (may cause lung damage)[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (91.9%)Flammable liquid - category 2 |
| Treatment | Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600) |
| Gesundheitliche Auswirkungen | Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Expositionspfade | Oral (L400)inhalation (L400)dermal (L400) |
| Toxizitätsübersicht | Petroleum distillates are central nervous system depressants and cause pulmonary damage. (A600) |
| Signs and Symptoms | Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594) |
Anwendungen & Verwendung
Verwenden
2,5-Dimethylhexane has been used to study excess entropy scaling relationships for analyzing its kinetic properties using molecular simulation.