Chemical Properties of TATP (CAS 17088-37-8)

TATP

InChI
InChI=1S/C9H18O6/c1-7(2)10-12-8(3,4)14-15-9(5,6)13-11-7/h1-6H3
InChI Key
ZTLXICJMNFREPA-UHFFFAOYSA-N
Formula
C9H18O6
SMILES
CC1(C)OOC(C)(C)OOC(C)(C)OO1
Molecular Weight1
222.24
CAS
17088-37-8
Other Names
  • 1,2,4,5,7,8-Hexaoxacyclononane, 3,3,6,6,9,9-hexamethyl
  • 3,3,6,6,9,9-Hexamethyl-1,2,4,5,7,8-hexoxanane
  • Acetone cyclic triperoxide
  • Acetone peroxide trimer
  • TATP (triacetone triperoxide)
  • TCAP
  • Triacetontriperoxide
  • Tricycloacetonperoxide
  • Trimeric acetonperoxide
  • triacetone triperoxide
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Physical Properties

Property Value Unit Source
ΔfusH° 35.72 kJ/mol Joback Calculated Property
logPoct/wat 2.053 Crippen Calculated Property
McVol 162.030 ml/mol McGowan Calculated Property
Inp [1094.00; 1128.10]   Show Hide
Inp 1105.80 NIST
Inp 1125.80 NIST
Inp 1115.30 NIST
Inp 1122.60 NIST
Inp 1128.10 NIST
Inp 1120.60 NIST
Inp 1111.90 NIST
Inp 1094.00 NIST
Inp 1115.00 NIST
Inp 1115.00 NIST
Inp 1094.00 NIST
Tfus [370.15; 370.15] K Show Hide
Tfus 370.15 K A comparative study on two explosive acetone peroxides
Tfus 370.15 K THERMOCHEMISTRY OF CYCLIC ACETONE PEROXIDES

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Psub [6.82e-03; 0.12] kPa [303.15; 338.15] Show Hide
Psub 6.82e-03 kPa 303.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.01 kPa 308.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.02 kPa 313.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.03 kPa 318.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.05 kPa 323.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.07 kPa 328.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.10 kPa 333.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub 0.12 kPa 338.15 Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [240.52; 626.49] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.20430e+02
Coefficient B1.75692e+00
Coefficient C-1.81120e-03
Coefficient D8.01200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 240.52 J/mol×K 273.00 Calculated Property
Cp,gas 309.92 J/mol×K 353.78 Calculated Property
Cp,gas 366.77 J/mol×K 434.56 Calculated Property
Cp,gas 413.62 J/mol×K 515.33 Calculated Property
Cp,gas 453.00 J/mol×K 596.11 Calculated Property
Cp,gas 487.44 J/mol×K 676.89 Calculated Property
Cp,gas 519.47 J/mol×K 757.67 Calculated Property
Cp,gas 551.64 J/mol×K 838.44 Calculated Property
Cp,gas 586.47 J/mol×K 919.22 Calculated Property
Cp,gas 626.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2,4,5-Tetroxane, 3,3,6,6-tetramethyl-. 1,2,4,5,7,8-hexaoxacyclononane, 3,6,9-trimethyl, 3,6,9-triethyl. 1,2,4,5-tetraoxacyclohexane, 3,6-dimethyl, 3,6-diethyl. 1,2,4,5,7,8-hexaoxacyclononane, 3,3-dimethyl, 6,6,9,9-tetraethyl. 1,2,4,5,7,8-hexaoxacyclononane, 3,3,6,6-tetramethyl, 9,9-diethyl. 2,2-Bis(tert-butylperoxy) butane. Peroxide, bis(1,1-dimethylethyl). 1,2,4,5-tetraoxacyclohexane, 3,3-dimethyl, 6,6-diethyl. 1,2,4,5,7,8-hexaoxacyclononane, 3,3,6,6,9,9-hexaethyl. 1,2,4,5-tetraoxacyclohexane, 3,6-dimethyl, 3,6-di-tertbutyl. 1,2,4,5-tetraoxacyclohexane, 3,3,6,6-tetraethyl. Peroxide, bis(1-methylethyl). 1,2,4,5-tetraoxacyclohexane, 3,3,6,6-tetrapropyl. tert-Butyl Hydroperoxide. (CH3)3CO2.

Find more compounds similar to TATP.

Sources

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