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
  • Hydroperoxide, 1,1-dimethylethyl
  • Cadox TBH
  • Perbutyl H
  • 2-Hydroperoxy-2-methylpropane
  • 1,1-Dimethylethyl hydroperoxide
  • tert-C4H9OOH
  • tert-Butyl hydrogen peroxide
  • Hydroperoxide, tert-butyl
  • Hydroperoxyde de butyle tertiaire
  • Slimicide DE-488
  • Terc. butylhydroperoxid
  • Trigonox A-75
  • TBHP-70
  • Trigonox A-W70
  • t-Butylhydroperoxide
  • Aztec t-butyl Hydroperoxide-70, Aq
  • Dimethylethyl hydroperoxide
  • T-Hydro
  • TBHP
  • Tertiary-butyl hydroperoxide
  • NSC 672

Physical Properties

Property Value Unit Source
Δcliquid [-2737.00; -2710.00] kJ/mol Show Hide
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 [-246.00; -234.90] kJ/mol Show Hide
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; 48.10] kJ/mol Show Hide
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
log10WS -1.01 Crippen Calculated Property
logPoct/wat 1.274 Crippen Calculated Property
McVol 78.960 ml/mol McGowan 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/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [156.85; 199.68] J/mol×K [402.29; 575.17] Show Hide
Cp,gas 156.85 J/mol×K 402.29 Joback Calculated Property
Cp,gas 164.80 J/mol×K 431.10 Joback Calculated Property
Cp,gas 172.42 J/mol×K 459.92 Joback Calculated Property
Cp,gas 179.70 J/mol×K 488.73 Joback Calculated Property
Cp,gas 186.67 J/mol×K 517.54 Joback Calculated Property
Cp,gas 193.32 J/mol×K 546.35 Joback Calculated Property
Cp,gas 199.68 J/mol×K 575.17 Joback Calculated Property
η [0.0003005; 0.0885825] Pa×s [220.31; 402.29] Show Hide
η 0.0885825 Pa×s 220.31 Joback Calculated Property
η 0.0193527 Pa×s 250.64 Joback Calculated Property
η 0.0058716 Pa×s 280.97 Joback Calculated Property
η 0.0022475 Pa×s 311.30 Joback Calculated Property
η 0.0010203 Pa×s 341.63 Joback Calculated Property
η 0.0005268 Pa×s 371.96 Joback Calculated Property
η 0.0003005 Pa×s 402.29 Joback Calculated Property
ΔvapH 46.57 kJ/mol 153.00 NIST

Similar Compounds

(CH3)3CO2. Di-tert-butyl peroxide. 2-Propanol, 2-methyl-. 2-Propanol, 2-methyl-d. t-Butyl nitrite. Hydroperoxide, 1-methylethyl. 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne. Di-tert-Butyl ether. trans-Di-tert-butylhyponitrite. Propane, 2-methoxy-2-methyl-. Acetone cyanohydrin. Dimethylvinylethynylhydroperoxide. Formic acid, 1,1-dimethylethyl ester. Acetic acid, 1,1-dimethylethyl ester. Chloromethyl tert-butyl ether.

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