Chemical Properties of Di-tert-butyl peroxide (CAS 110-05-4)

Di-tert-butyl peroxide

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InChI
InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChI Key
LSXWFXONGKSEMY-UHFFFAOYSA-N
Formula
C8H18O2
SMILES
CC(C)(C)OOC(C)(C)C
Molecular Weight1
146.23
CAS
110-05-4
Other Names
  • (tert-C4H9O)2
  • Bis(1,1-dimethylethyl) peroxide
  • Bis(tert-butyl) peroxide
  • Cadox
  • Cadox TBP
  • DTBP
  • Di-t-butyl peroxide
  • Di-tert-butyl peroxyde
  • Di-tert-butylperoxid
  • Di-tertiary-butyl peroxide
  • Interox DTB
  • Kayabutyl D
  • NSC 673
  • Perbutyl D
  • Perossido di butile terziario
  • Peroxide, bis(1,1-dimethylethyl)
  • Peroxide, bis-tert-butyl-
  • Peroxide, tert-butyl-
  • Peroxyde de butyle tertiaire
  • Trigonox B
  • t-Butyl peroxide
  • t-butyl peroxide bis(1,1-di-methylethyl)peroxide
  • tert-Butyl peroxide
Sources

Physical Properties

Property Value Unit Source
Δcliquid [-5339.80; -5326.00] kJ/mol Show Hide
Δcliquid -5339.80 ± 1.60 kJ/mol NIST
Δcliquid -5336.30 kJ/mol NIST
Δcliquid -5339.60 ± 0.80 kJ/mol NIST
Δcliquid -5334.60 kJ/mol NIST
Δcliquid -5326.00 kJ/mol NIST
Δf -187.84 kJ/mol Joback Calculated Property
Δfgas -340.80 kJ/mol NIST
Δfgas -343.00 kJ/mol NIST
Δfgas -341.00 kJ/mol NIST
Δfliquid -380.80 ± 2.00 kJ/mol NIST
Δfliquid -385.00 kJ/mol NIST
Δfliquid -381.00 kJ/mol NIST
Δfus 4.02 kJ/mol Joback Calculated Property
Δvap [36.60; 42.00] kJ/mol Show Hide
Δvap 39.30 ± 1.00 kJ/mol NIST
Δvap 38.90 kJ/mol NIST
Δvap Outlier 36.60 ± 0.60 kJ/mol NIST
Δvap 41.00 kJ/mol NIST
Δvap 42.00 kJ/mol NIST
Δvap 40.00 kJ/mol NIST
Δvap 40.20 kJ/mol NIST
Δvap 40.00 kJ/mol NIST
Δvap 40.00 kJ/mol NIST
IE 8.78 eV NIST
IE 8.78 eV NIST
logPoct/wat 2.532 Crippen Calculated Property
Pc 2545.61 kPa Joback Calculated Property
Tboil 382.70 K NIST
Tc 606.65 K Joback Calculated Property
Tfus 229.22 K Joback Calculated Property
Vc 0.497 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 286.25 J/mol×K 420.82 Joback Calculated Property
η 0.0002164 Pa×s 420.82 Joback Calculated Property
ΔvapH [31.00; 37.00] kJ/mol [253.00; 333.00] Show Hide
ΔvapH 31.05 kJ/mol 253.0 NIST
ΔvapH 32.00 kJ/mol 278.5 NIST
ΔvapH 31.00 kJ/mol 328.5 NIST
ΔvapH 37.00 kJ/mol 333.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 6
>C< 2

Similar Compounds

Peroxide, bis(1-methylethyl). Tert-butyl hydroperoxide. (CH3)3CO2. di-tert-pentyl peroxide. Hydroperoxide, 1-methylethyl. Peroxide, diethyl. 2-Tert-pentylperoxyethanol. Peroxide, dipropyl. 2-Propanol, 2-methyl-. t-Butylperoxymethyloxirane. Peroxide, dibutyl. t-Butyldimethylvinylethynylperoxide. 1,2,4,5-Tetroxane, 3,3,6,6-tetramethyl-. Hydroperoxide, 1-methylbutyl. Propane, 2-methoxy-2-methyl-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.