cyclodecane

• ChemBase ID: 126799
• Molecular Formular: C10H20
• Molecular Mass: 140.2658
• Monoisotopic Mass: 140.15650064
• SMILES: C1CCCCCCCCC1
• Canonical SMILES: C1CCCCCCCCC1
• InChI: InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2
• InChIKey: LMGZGXSXHCMSAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclodecane
• IUPAC Traditional name: cyclodecane
• Synonyms: Cyclodecane; Cyclodecane; 环癸烷

Database IDs

• CAS Number: 293-96-9
• EC Number: 206-032-3
• MDL Number: MFCD00003711
• Beilstein Number: 1900637
• PubChem SID: 24849518; 162221127
• PubChem CID: 9267
• Chemspider ID: 8910
• Wikipedia Title: Cyclodecane

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 4.445687
• LogD (pH = 7.4): 4.445687
• Log P: 4.445687
• Molar Refractivity: 46.01 cm^3
• Polarizability: 18.47042 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0

PROPERTIES

Physical Property

• Apperance: colorless liquid
• Melting Point: 9-10 °C; 9-10 °C(lit.)
• Boiling Point: 201 °C(lit.); 201°C
• Flash Point: 149 °F; 65 °C
• Density: 0.871 g/cm^3; 0.871 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.471; n20/D 1.471(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥95.0% (GC); 95%
• Grade: purum
• Empirical Formula (Hill Notation): C10H20

DETAILS

Sigma Aldrich - 155330

Packaging
1, 5 g in glass bottle