1,5-Pentanediol

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Catalog Number
ACM-MO-111295
Product Name
1,5-Pentanediol
Structure
Structure
CAS
111-29-5
Category
Heterocyclic Organic Compound
Description
Liquid
Synonyms
1,5-Dihydroxypentane;
Pentamethylene Glycol
IUPAC Name
Pentane-1,5-diol
Molecular Weight
104.15 g/mol
Molecular Formula
C5H12O2
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
SpecificGravity
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
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