Chemical Properties of 2,4-Pentanediol, 2-methyl- (CAS 107-41-5)

2,4-Pentanediol, 2-methyl-

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InChI
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI Key
SVTBMSDMJJWYQN-YFKPBYRVSA-N
Formula
C6H14O2
SMILES
CC(O)CC(C)(C)O
Molecular Weight1
118.17
CAS
107-41-5
Other Names
  • (.+/-.)-2-Methyl-2,4-pentanediol
  • 1,1,3-Trimethyltrimethylenediol
  • 2,4-Dihydroxy-2-methylpentane
  • 2,4-Pentanediol, 2-methyl-
  • 2-Methyl pentane-2,4-diol
  • 2-Methyl-2,4-pentandiol
  • 2-Methyl-2,4-pentanediol
  • 2-Methylpentan-2,4-diol
  • 4-Methyl-2,4-pentanediol
  • 4-Methyl-2,4-pentanediole
  • Diolane
  • Isol
  • Isophthalic acid
  • NSC 8098
  • Pinakon
  • «alpha»,«alpha»,«alpha»'-Trimethyltrimethylene glycol
Sources

Physical Properties

Property Value Unit Source
Δf -273.60 kJ/mol Joback Calculated Property
Δfgas -485.66 kJ/mol Joback Calculated Property
Δfus 8.54 kJ/mol Joback Calculated Property
Δvap 68.90 ± 0.40 kJ/mol NIST
Δvap 68.60 ± 0.40 kJ/mol NIST
logPoct/wat 0.528 Crippen Calculated Property
Pc 3990.60 kPa Joback Calculated Property
Tboil [469.15; 471.42] K Show Hide
Tboil 471.20 K NIST
Tboil 470.15 K NIST
Tboil 470.25 ± 1.00 K NIST
Tboil 471.42 ± 0.50 K NIST
Tboil 469.15 ± 1.00 K NIST
Tc 685.89 K Joback Calculated Property
Tfus 266.44 K Joback Calculated Property
Vc 0.393 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 258.90 J/mol×K 517.37 Joback Calculated Property
η 0.0000727 Pa×s 517.37 Joback Calculated Property
ΔvapH 58.10 kJ/mol 423.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 1
-CH3 3
>C< 1
-OH (alcohol) 2

Similar Compounds

2,4-Dimethylpentane-2,4-diol. 2-Pentanol, 2,4-dimethyl-. 2-Methyl-2-pentanol. 2-Pentanol, 4-methyl-. 4-Methoxy-4-methyl-2-pentanol. 2-Hexanol, 2-methyl-. (2R,4R)-(-)-Pentanediol. 2,4-Pentanediol. 3-Hexanol, 3-methyl-. 3-Hexanol, 5-methyl-. 2-Pentanol, 4,4-dimethyl-. 2-Methyl-2-heptanol. 3-Hexanol, 3,5-dimethyl-. 3-Hexanol, 3,5-dimethyl-, (.+/-.)-. 2-Hexanol, 2,5-dimethyl-.

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