Chemical Properties of 1,5-Pentanediol (CAS 111-29-5)

1,5-Pentanediol

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InChI
InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChI Key
ALQSHHUCVQOPAS-UHFFFAOYSA-N
Formula
C5H12O2
SMILES
OCCCCCO
Molecular Weight1
104.15
CAS
111-29-5
Other Names
  • 1,5-Dihydroxypentane
  • 1,5-Pentamethylene glycol
  • 1,5-Pentandiol
  • 1,5-Pentylene glycol
  • NSC 5927
  • Pentamethylene glycol
  • Pentane diol-1,5
  • Pentane-1,5-diol
  • Pentylene glycol
  • «alpha»,«omega»-Pentanediol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3153.70 ± 5.70 kJ/mol NIST
Δcliquid -3151.10 ± 2.80 kJ/mol NIST
Δcliquid -3156.00 kJ/mol NIST
Δf -282.42 kJ/mol Joback Calculated Property
Δfgas -442.00 ± 5.70 kJ/mol NIST
Δfgas -449.00 ± 3.00 kJ/mol NIST
Δfgas -444.50 kJ/mol NIST
Δfliquid -528.80 ± 5.70 kJ/mol NIST
Δfliquid -531.00 ± 3.00 kJ/mol NIST
Δfliquid -526.51 kJ/mol NIST
Δfus 16.88 kJ/mol Joback Calculated Property
Δvap [82.00; 86.80] kJ/mol Show Hide
Δvap 86.80 kJ/mol NIST
Δvap 86.80 ± 0.50 kJ/mol NIST
Δvap 86.80 ± 0.50 kJ/mol NIST
Δvap 82.00 kJ/mol NIST
logPoct/wat 0.14 Crippen Calculated Property
Pc 4362.63 kPa Joback Calculated Property
liquid 321.30 J/mol×K NIST
Tboil [503.15; 515.55] K Show Hide
Tboil 515.20 K NIST
Tboil 515.00 K NIST
Tboil 515.55 K NIST
Tboil 512.15 ± 2.00 K NIST
Tboil 511.15 ± 2.00 K NIST
Tboil 512.15 ± 2.00 K NIST
Tboil 511.15 ± 2.00 K NIST
Tboil 513.00 ± 3.00 K NIST
Tboil Outlier 503.15 ± 3.00 K NIST
Tc 656.08 K Joback Calculated Property
Tfus 378.00 ± 2.00 K NIST
Tfus 257.55 K NIST
Tfus 257.55 ± 0.60 K NIST
Ttriple 254.40 ± 0.10 K NIST
Ttriple 248.00 ± 0.20 K NIST
Ttriple 248.00 ± 0.40 K NIST
Vc 0.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 213.03 J/mol×K 498.16 Joback Calculated Property
η 0.00 Pa×s 498.16 Joback Calculated Property
ΔfusH 15.72 kJ/mol 248.0 NIST
ΔfusH 15.72 kJ/mol 248.0 NIST
ΔfusH 15.73 kJ/mol 248.0 NIST
ΔvapH 78.60 kJ/mol 435.0 NIST
ΔvapH 82.00 ± 2.00 kJ/mol 446.0 NIST
ΔfusS 63.40 J/mol×K 248.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 5
-OH (alcohol) 2

Similar Compounds

Titanic acid, tetrapentyl ester. 1-Pentanol. 1-Hexanol. 1-Butanol. Vanadium, tributoxyoxo-, (T-4)-. 1,6-Hexanediol. heptanol. 1-Pentanol, 4-methyl-. 1,7-Heptanediol. 1-Heptanol. 1,4-Butanediol. CH3O(CH2)5OCH3. 1-Pentanol, 5-methoxy-. 1,5-Pentanediol, 3-methyl-. 2-Pentanol.

Find more compounds similar to 1,5-Pentanediol.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.