nonane

• ChemBase ID: 107944
• Molecular Formular: C9H20
• Molecular Mass: 128.2551
• Monoisotopic Mass: 128.15650064
• SMILES: CCCCCCCCC
• Canonical SMILES: CCCCCCCCC
• InChI: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
• InChIKey: BKIMMITUMNQMOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonane
• IUPAC Traditional name: nonane
• Synonyms: n-Nonane; n-Nonane; Nonane Fraction; n-NONANE; Nonane; Nonane; 正壬烷; 壬烷分馏物; 正壬烷; 壬烷

Database IDs

• CAS Number: 111-84-2
• EC Number: 203-913-4
• MDL Number: MFCD00009574
• Beilstein Number: 1696917
• PubChem SID: 24886667; 162088812; 24886665; 24897606; 24867964; 24857881
• PubChem CID: 8141
• CHEBI ID: 32892
• CHEMBL: 335900
• Chemspider ID: 7849
• Gmelin ID: 240576
• MeSH Name: nonane
• Wikipedia Title: Nonane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4648438
• LogD (pH = 7.4): 4.4648438
• Log P: 4.4648438
• Molar Refractivity: 43.2112 cm^3
• Polarizability: 17.36981 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -53 °C(lit.); -53.5°C; -53°C; -54.15 - -53.15°C (219 - 220 K)
• Boiling Point: 148-156 °C; 150.35 - 150.95°C (423.5 - 424.1 K); 150-152°C; 151 °C(lit.); 151°C
• Flash Point: 31 °C; 31.0 °C; 31°C(87°F); 87.8 °F
• Auto Ignition Point: 205.0 °C; 401 °F
• Density: 0.714 g/ml; 0.718; 0.718 g/mL at 25 °C(lit.); 0.72 g/mL at 20 °C; 718 mg mL^-1
• Refractive Index: 1.405; 1.4054; n20/D 1.405; n20/D 1.405(lit.); n20/D 1.407
• Vapor Pressure: 0.18 psi ( 37.7 °C); 1.33 kPa (at 20.0 °C)
• Vapor Density: 4.41 (vs air)
• Partition Coefficient: 5.293
• Henry Constant: 1.7 nmol Pa^-1 kg^-1
• Odor: Gasoline-like
• Heat Capacity: 284.34 J K^-1 mol^-1
• Std enthalpy of combustion: -6125.75–-6124.67 kJ mol^-1
• Std enthalpy of formation: -275.7–-273.7 kJ mol^-1
• Std molar entropy: 393.67 J K^-1 mol^-1

Safety Information

• RTECS: RA6115000
• European Hazard Symbols: Flammable (F); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1920; UN1920
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-20-36-53-65-67; 10-20-65-66; R:10-18-36/37/38; R10, R20, R53, R65, R67
• Safety Statements: 23-36-62; 26-62; S:9-16-25-26-29
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS health hazard; GHS02; GHS07; GHS08
• GHS Signal Word: DANGER; Danger; Warning
• Explode Limits: 0.87–2.9%; 2.9 %
• GHS Hazard statements: 226, 304, 315, 319, 332, 336; H226; H226-H304-H315-H319-H332-H336; H304-H226-H332
• GHS Precautionary statements: 261, 301+310, 305+351+338, 331; P261-P280F-P301+P310-P315; P261-P301 + P310-P305 + P351 + P338-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1920 3/PG 3

Product Information

• Purity: ≥95.0% (GC); ≥99%; ≥99% (GC); ≥99.0% (GC); ≥99.8% (GC); 99%
• Grade: analytical standard; anhydrous; purum; ReagentPlus®
• Packaging: ampule of 1000 mg
• Evaporation Residue: <0.0003%
• Impurities: <0.005% water; isoparaffin; naphthene
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)7CH3

DETAILS

Sigma Aldrich - 296821

Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - N29406

Packaging
1 L in glass bottle
100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC