Chemical Properties of 2,4-Pentanediol (CAS 625-69-4)

2,4-Pentanediol

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChI Key
GTCCGKPBSJZVRZ-UHFFFAOYSA-N
Formula
C5H12O2
SMILES
CC(O)CC(C)O
Molecular Weight1
104.15
CAS
625-69-4
Other Names
  • 2,4-Amylene glycol
  • 2,4-Pentanediol (dl+meso)
  • Isoamylene alcohol
  • Pentane-2,4-diol
  • Pentanediol-2,4
  • dl-2,4-Pentanediol
Sources

Physical Properties

Property Value Unit Source
Δf -287.30 kJ/mol Joback Calculated Property
Δfgas -461.55 kJ/mol Joback Calculated Property
Δfus 9.84 kJ/mol Joback Calculated Property
Δvap 72.50 ± 0.30 kJ/mol NIST
logPoct/wat 0.14 Crippen Calculated Property
Pc 4456.32 kPa Joback Calculated Property
Tboil [382.00; 474.70] K Show Hide
Tboil Outlier 382.00 ± 1.00 K NIST
Tboil 474.70 K NIST
Tboil 472.15 ± 3.00 K NIST
Tboil 474.25 ± 3.00 K NIST
Tboil 470.65 ± 3.00 K NIST
Tboil 458.15 ± 3.00 K NIST
Tboil 474.15 ± 3.00 K NIST
Tc 661.20 K Joback Calculated Property
Tfus 318.15 ± 1.00 K NIST
Vc 0.34 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 213.59 J/mol×K 497.28 Joback Calculated Property
η 0.00 Pa×s 497.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH2- 1
-CH3 2
-OH (alcohol) 2

Similar Compounds

(2R,4R)-(-)-Pentanediol. (R)-(-)-2-Pentanol. 2-Pentanol. 1,3-Butanediol, (R)-. 1,3-Butanediol. 1,3-Butanediol, (S)-. (S)-(+)-2-Pentanol. 1,3-Butanediol. 1,3-Pentanediol. DL-2-hexanol. 1,4-Pentanediol. 2-Hexanol, (R)-. 2-Hexanol, (S)-. 2-Hexanol. 3-Hexanol.

Find more compounds similar to 2,4-Pentanediol.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.