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2-Methylpentane

August 23, 2023

2-Methylpentane, trivially known as isohexane, is a branched-chain alkane with the molecular formula C6H14. It is a structural isomer of hexane composed of a methyl group bonded to the second carbon atom in a pentane chain. Using a quantitative structure-activity relationship (QSAR) prediction model, 2-Methylpentane has a research octane number (RON) of 75, motor octane number (MON) of 77, and cetane number (CN) of 29.[4]

2-Methylpentane
Skeletal formula of 2-methylpentane
Names
Preferred IUPAC name
2-Methylpentane[2]
Other names
Isohexane[1]
Identifiers
  • 107-83-5 Y
3D model (JSmol)
  • Interactive image
1730735
ChEBI
  • CHEBI:88374 N
ChEMBL
  • ChEMBL30909 Y
ChemSpider
  • 7604 Y
ECHA InfoCard 100.003.204
EC Number
  • 203-523-4
MeSH 2-methylpentane
  • 7892
RTECS number
  • SA2985000
UNII
  • 49IB0U6MLD N
UN number 1208
  • DTXSID4029143
  • InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 Y
    Key: AFABGHUZZDYHJO-UHFFFAOYSA-N Y
  • CCCC(C)C
Properties
C6H14
Molar mass 86.178 g·mol−1
Appearance Colorless liquid
Odor Odorless
Density 653 mg mL−1
Melting point −160 to −146 °C; −256 to −231 °F; 113 to 127 K
Boiling point 60 to 62 °C; 140 to 143 °F; 333 to 335 K
log P 3.608
Vapor pressure 46.7 kPa (at 37.7 °C)
5.7 nmol Pa−1 kg−1
-75.26·10−6 cm3/mol
1.371
Thermochemistry
194.19 J K−1 mol−1
290.58 J K−1 mol−1
−205.3–−203.3 kJ mol−1
Hazards
GHS labelling:
Danger
H225, H304, H315, H336, H411
P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)
Health 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2
3
0
Flash point −7 °C (19 °F; 266 K)
306 °C (583 °F; 579 K)
Explosive limits 1.2–7%
NIOSH (US health exposure limits):
PEL (Permissible)
 none[3]
Related compounds
Related alkanes
Related compounds
 2-Ethyl-1-butanol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)

See also

References

  1. ^ Haynes, William M. (2010). Handbook of Chemistry and Physics (91 ed.). Boca Raton, Florida, USA: CRC Press. p. 3-364. ISBN 978-1-43982077-3.
  2. ^ "2-methylpentane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 5 March 2012.
  3. ^ NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
  4. ^ Phuong T. M. Do; Steven Crossley; Malee Santikunaporn; Daniel E. Resasco (2007). "Catalytic strategies for improving specific fuel properties". The Royal Society of Chemistry: 38. CiteSeerX 10.1.1.1074.651.


 

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August 23, 2023
methylpentane, trivially, known, isohexane, branched, chain, alkane, with, molecular, formula, c6h14, structural, isomer, hexane, composed, methyl, group, bonded, second, carbon, atom, pentane, chain, using, quantitative, structure, activity, relationship, qsa. 2 Methylpentane trivially known as isohexane is a branched chain alkane with the molecular formula C6H14 It is a structural isomer of hexane composed of a methyl group bonded to the second carbon atom in a pentane chain Using a quantitative structure activity relationship QSAR prediction model 2 Methylpentane has a research octane number RON of 75 motor octane number MON of 77 and cetane number CN of 29 4 2 Methylpentane Skeletal formula of 2 methylpentaneNamesPreferred IUPAC name 2 Methylpentane 2 Other names Isohexane 1 IdentifiersCAS Number 107 83 5 Y3D model JSmol Interactive imageBeilstein Reference 1730735ChEBI CHEBI 88374 NChEMBL ChEMBL30909 YChemSpider 7604 YECHA InfoCard 100 003 204EC Number 203 523 4MeSH 2 methylpentanePubChem CID 7892RTECS number SA2985000UNII 49IB0U6MLD NUN number 1208CompTox Dashboard EPA DTXSID4029143InChI InChI 1S C6H14 c1 4 5 6 2 3 h6H 4 5H2 1 3H3 YKey AFABGHUZZDYHJO UHFFFAOYSA N YSMILES CCCC C CPropertiesChemical formula C 6H 14Molar mass 86 178 g mol 1Appearance Colorless liquidOdor OdorlessDensity 653 mg mL 1Melting point 160 to 146 C 256 to 231 F 113 to 127 KBoiling point 60 to 62 C 140 to 143 F 333 to 335 Klog P 3 608Vapor pressure 46 7 kPa at 37 7 C Henry s lawconstant kH 5 7 nmol Pa 1 kg 1Magnetic susceptibility x 75 26 10 6 cm3 molRefractive index nD 1 371ThermochemistryHeat capacity C 194 19 J K 1 mol 1Std molarentropy S 298 290 58 J K 1 mol 1Std enthalpy offormation DfH 298 205 3 203 3 kJ mol 1HazardsGHS labelling PictogramsSignal word DangerHazard statements H225 H304 H315 H336 H411Precautionary statements P210 P261 P273 P301 P310 P331NFPA 704 fire diamond 230Flash point 7 C 19 F 266 K Autoignitiontemperature 306 C 583 F 579 K Explosive limits 1 2 7 NIOSH US health exposure limits PEL Permissible none 3 Related compoundsRelated alkanes Isopentane3 Methylpentane3 Ethylpentane2 Methylhexane3 MethylhexaneRelated compounds 2 Ethyl 1 butanolExcept where otherwise noted data are given for materials in their standard state at 25 C 77 F 100 kPa N verify what is Y N Infobox referencesSee also EditHeteropoly acidReferences Edit Haynes William M 2010 Handbook of Chemistry and Physics 91 ed Boca Raton Florida USA CRC Press p 3 364 ISBN 978 1 43982077 3 2 methylpentane Compound Summary PubChem Compound USA National Center for Biotechnology Information 26 March 2005 Identification and Related Records Retrieved 5 March 2012 NIOSH Pocket Guide to Chemical Hazards 0323 National Institute for Occupational Safety and Health NIOSH Phuong T M Do Steven Crossley Malee Santikunaporn Daniel E Resasco 2007 Catalytic strategies for improving specific fuel properties The Royal Society of Chemistry 38 CiteSeerX 10 1 1 1074 651 This article about a hydrocarbon is a stub You can help Wikipedia by expanding it vte Retrieved from https en wikipedia org w index php title 2 Methylpentane amp oldid 1168560416, wikipedia, wiki, book, books, library,

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