1,5-Pentanediol - Materials / Alfa Chemistry

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1,5-Pentanediol

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Catalog Number

ACMA00017273

Product Name

1,5-Pentanediol

Category

Polymers

Description

Liquid

IUPAC Name

pentane-1,5-diol

Molecular Weight

104.15g/mol

Molecular Formula

C5H12O2

Canonical SMILES

C(CCO)CCO

InChI

InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChI Key

ALQSHHUCVQOPAS-UHFFFAOYSA-N

Boiling Point

239.0 °C;240 °C

Melting Point

-18.0 °C;-18 °C

Flash Point

129 °C (265 °F) (open cup);136 °C (277 °F) - closed cup

Density

0.9941 g/cm cu at 20 °C; 0.9858 g/cm cu at 25 °C

Solubility

Miscible with water;Soluble in water;Miscible with methanol, ethanol, acetone, ethyl acetate. Soluble in ether (25 °C) 11% w/w. Limited solubility in benzene, trichloroethylene, methylene chloride, petroleum ether, heptane.;Soluble in alcohols, acetone, and relatively insoluble in aliphatic and aromatic hydrocarbons

Color/Form

Viscous, oily liquid;Colorless

Complexity

25.3

Covalently-Bonded Unit Count

EC Number

203-854-4

Exact Mass

104.08373g/mol

Formal Charge

Heat of Vaporization

82.4 kJ/mol at 25 °C

Heavy Atom Count

Log P

log Kow = 0.27 (est)

MeSH Entry Terms

1,5-pentanediol;1,5-pentanediol, disodium salt;1,5-pentanediol, sodium salt;1,5-pentanediol, titanium (4+) salt (4:1);pentane-1,5-diol

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)

Refractive Index

Index of refraction: 1.4499 at 20 °C

Rotatable Bond Count

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

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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