1,5-Pentanediol

• CAS: 111-29-5
• Catalog Number: ACM-MO-111295
• Category: Other Products; Diol Monomers
• Molecular Weight: 104.15 g/mol
• Molecular Formula: C5H12O2
• Description: Liquid
• Synonyms: 1,5-Dihydroxypentane;; Pentamethylene Glycol
• IUPAC Name: Pentane-1,5-diol
• Canonical SMILES: C(CCO)CCO
• InChI: ALQSHHUCVQOPAS-UHFFFAOYSA-N
• InChI Key: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
• Boiling Point: 239 °C
• Melting Point: -16 °C
• Flash Point: 135 °C
• Density: 0.994g/ml
• Solubility: Soluble in water.Soluble in alcohol, acetone.
• Appearance: Colorless to Almost Colorless Clear Liquid
• Autoignition Temperature: 635 °F
• Color/Form: Viscous, oily liquid;Colorless
• Complexity: 25.3
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 203-854-4
• Exact Mass: 104.08373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heat of Vaporization: 82.4 kJ/mol at 25 °C
• Heavy Atom Count: 7
• LogP: log Kow = 0.27 (est)
• Monoisotopic Mass: 104.08373g/mol
• NSC Number: 5927
• Other Experimental: Henry's Law constant = 3.1X10-7atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.3X10-11 cu cm/mole-sec at 25 °C (est)
• pH: 7.5
• Physical State: Liquid
• Refractive Index: 1.45
• Rotatable Bond Count: 4
• Specific Gravity: 0.99
• Stability: Stable under recommended storage conditions.
• UNII: 07UXZ0SCST
• Vapor Pressure: 0.00 mmHg;3.90X10-3 mm Hg at 25 °C
• Viscosity: 128 mPa.s at 20 °C
• XLogP3: -0.1