Chemical Properties of Tert-butyl hydroperoxide (CAS 75-91-2)

Tert-butyl hydroperoxide

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InChI
InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
InChI Key
CIHOLLKRGTVIJN-UHFFFAOYSA-N
Formula
C4H10O2
SMILES
CC(C)(C)OO
Molecular Weight1
90.12
CAS
75-91-2
Other Names
  • 1,1-Dimethylethyl hydroperoxide
  • 2-Hydroperoxy-2-methylpropane
  • Aztec t-butyl Hydroperoxide-70, Aq
  • Cadox TBH
  • Dimethylethyl hydroperoxide
  • Hydroperoxide, 1,1-dimethylethyl
  • Hydroperoxide, tert-butyl
  • Hydroperoxyde de butyle tertiaire
  • NSC 672
  • Perbutyl H
  • Slimicide DE-488
  • T-Hydro
  • TBHP
  • TBHP-70
  • Terc. butylhydroperoxid
  • Tertiary-butyl hydroperoxide
  • Trigonox A-75
  • Trigonox A-W70
  • t-Butylhydroperoxide
  • tert-Butyl hydrogen peroxide
  • tert-C4H9OOH
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2710.00 ± 5.00 kJ/mol NIST
Δcliquid -2737.00 kJ/mol NIST
Δcliquid -2736.00 ± 1.00 kJ/mol NIST
Δf -256.18 kJ/mol Joback Calculated Property
Δfgas -234.90 kJ/mol NIST
Δfgas -246.00 ± 5.00 kJ/mol NIST
Δfliquid -294.00 ± 5.00 kJ/mol NIST
Δfus 3.98 kJ/mol Joback Calculated Property
Δvap 47.70 ± 0.20 kJ/mol NIST
Δvap 48.00 kJ/mol NIST
Δvap 48.10 kJ/mol NIST
IE 10.24 eV NIST
logPoct/wat 1.274 Crippen Calculated Property
Pc 4397.41 kPa Joback Calculated Property
Tboil 402.29 K Joback Calculated Property
Tc 575.17 K Joback Calculated Property
Tfus 220.31 K Joback Calculated Property
Vc 0.285 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 156.85 J/mol×K 402.29 Joback Calculated Property
η 0.0003003 Pa×s 402.29 Joback Calculated Property
ΔvapH 46.57 kJ/mol 153.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-OH (alcohol) 1
-CH3 3
>C< 1

Similar Compounds

(CH3)3CO2. Hydroperoxide, 1-methylethyl. Di-tert-butyl peroxide. 2-Propanol, 2-methyl-. Peroxide, bis(1-methylethyl). Propane, 2-methoxy-2-methyl-. HOCH2CH2O2. Titanium(IV) isopropoxide. Isopropyl alcohol. 1,2-Propanediol, 2-methyl-. 2-Propanol, 2-methyl-d. 2-Butanol, 2-methyl-. 2-Propanol, 2-methyl-d. Hydroperoxide, 1-methylbutyl. Peroxide, diethyl.

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