Chemical Properties of Hydroperoxide, 1-methylbutyl (CAS 14018-58-7)

Hydroperoxide, 1-methylbutyl

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InChI
InChI=1S/C5H12O2/c1-3-4-5(2)7-6/h5-6H,3-4H2,1-2H3
InChI Key
XRIRVAYMWUMXBR-UHFFFAOYSA-N
Formula
C5H12O2
SMILES
CCCC(C)OO
Molecular Weight1
104.15
CAS
14018-58-7
Other Names
  • 2-Hydroperoxypentane
  • n-C3H7CH(CH3)OOH
Sources

Physical Properties

Property Value Unit Source
Δf -253.04 kJ/mol Joback Calculated Property
Δfgas -436.26 kJ/mol Joback Calculated Property
Δfus 10.46 kJ/mol Joback Calculated Property
Δvap 45.43 kJ/mol Joback Calculated Property
IE 9.35 ± 0.03 eV NIST
IE 10.05 eV NIST
logPoct/wat 1.66 Crippen Calculated Property
Pc 3834.03 kPa Joback Calculated Property
Tboil 427.96 K Joback Calculated Property
Tc 593.40 K Joback Calculated Property
Tfus 214.16 K Joback Calculated Property
Vc 0.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 191.34 J/mol×K 427.96 Joback Calculated Property
η 0.00 Pa×s 427.96 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Hydroperoxide, 1-methylpentyl. 2-Hydroperoxy-n-hexane. 3-Hydroperoxyhexane. 4-Hydroperoxy-n-heptane. Hydroperoxide, 1-methylhexyl. 3-Hydroperoxy-n-heptane. Hydroperoxide, pentyl. (S)-(+)-2-Pentanol. (R)-(-)-2-Pentanol. 2-Pentanol. Hydroperoxide, hexyl. 2-Hexanol, (S)-. DL-2-hexanol. 2-Hexanol. 1,4-Pentanediol.

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