Chemical Properties of 1,3,5-Trioxane (CAS 110-88-3)

1,3,5-Trioxane

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InChI
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
InChI Key
BGJSXRVXTHVRSN-UHFFFAOYSA-N
Formula
C3H6O3
SMILES
C1OCOCO1
Molecular Weight1
90.08
CAS
110-88-3
Other Names
  • 1,3,5-Trioxacyclohexane
  • 1,3,5-Trioxan
  • Aldeform
  • Formagene
  • Formaldehyde, trimer
  • Marvosan
  • Metaformaldehyde
  • NSC 26347
  • Paraformaldehyde
  • S-TRIOXANE
  • TRIOXYMETHYLENE
  • Triformol
  • Triossimetilene
  • Trioxan
  • Trioxane
  • Trioxin
  • Trioxymethyleen
  • Trioxymethylen
  • s-Trioxan
  • s-Trixane
  • sym-Trioxane

Physical Properties

Property Value Unit Source
Δcsolid [-1518.00; -1492.00] kJ/mol Show Hide
Δcsolid -1515.30 kJ/mol NIST
Δcsolid -1515.70 ± 0.30 kJ/mol NIST
Δcsolid -1492.00 ± 1.00 kJ/mol NIST
Δcsolid -1518.00 kJ/mol NIST
Δf -251.82 kJ/mol Joback Calculated Property
Δfgas [-489.50; -464.00] kJ/mol Show Hide
Δfgas -465.76 ± 0.50 kJ/mol NIST
Δfgas -489.50 kJ/mol NIST
Δfgas -464.00 kJ/mol NIST
Δfsolid [-546.00; -520.49] kJ/mol Show Hide
Δfsolid -522.30 ± 0.40 kJ/mol NIST
Δfsolid -546.00 ± 11.00 kJ/mol NIST
Δfsolid -520.49 kJ/mol NIST
Δfus 18.23 kJ/mol Joback Calculated Property
Δsub [48.50; 56.60] kJ/mol Show Hide
Δsub 55.60 kJ/mol NIST
Δsub 56.50 kJ/mol NIST
Δsub 56.60 ± 0.20 kJ/mol NIST
Δsub 56.50 kJ/mol NIST
Δsub 56.20 ± 0.20 kJ/mol NIST
Δsub Outlier 48.50 ± 2.50 kJ/mol NIST
Δvap 36.54 kJ/mol Joback Calculated Property
IE [10.30; 10.80] eV Show Hide
IE 10.30 eV NIST
IE 10.59 ± 0.05 eV NIST
IE 10.80 eV NIST
log10WS 0.28 Crippen Calculated Property
logPoct/wat -0.078 Crippen Calculated Property
McVol 59.880 ml/mol McGowan Calculated Property
Pc 5962.94 kPa Joback Calculated Property
Inp [650.00; 660.00]   Show Hide
Inp 650.00 NIST
Inp 660.00 NIST
Inp 658.00 NIST
I [1167.00; 1167.00]   Show Hide
I 1167.00 NIST
I 1167.00 NIST
gas 284.90 ± 3.40 J/mol×K NIST
solid,1 bar [133.00; 142.89] J/mol×K Show Hide
solid,1 bar 142.89 J/mol×K NIST
solid,1 bar 133.00 J/mol×K NIST
Tboil 373.11 K Joback Calculated Property
Tc 585.00 K Joback Calculated Property
Tfus 335.65 ± 1.50 K NIST
Ttriple 333.44 ± 0.02 K NIST
Vc 0.201 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [109.71; 158.33] J/mol×K [373.11; 585.00] Show Hide
Cp,gas 109.71 J/mol×K 373.11 Joback Calculated Property
Cp,gas 118.97 J/mol×K 408.43 Joback Calculated Property
Cp,gas 127.75 J/mol×K 443.74 Joback Calculated Property
Cp,gas 136.06 J/mol×K 479.06 Joback Calculated Property
Cp,gas 143.93 J/mol×K 514.37 Joback Calculated Property
Cp,gas 151.34 J/mol×K 549.69 Joback Calculated Property
Cp,gas 158.33 J/mol×K 585.00 Joback Calculated Property
Cp,solid [111.40; 113.08] J/mol×K [298.15; 298.15] Show Hide
Cp,solid 113.08 J/mol×K 298.15 NIST
Cp,solid 111.40 J/mol×K 298.15 NIST
η [0.0005292; 0.0136050] Pa×s [214.90; 373.11] Show Hide
η 0.0136050 Pa×s 214.90 Joback Calculated Property
η 0.0058920 Pa×s 241.27 Joback Calculated Property
η 0.0030091 Pa×s 267.64 Joback Calculated Property
η 0.0017337 Pa×s 294.00 Joback Calculated Property
η 0.0010937 Pa×s 320.37 Joback Calculated Property
η 0.0007401 Pa×s 346.74 Joback Calculated Property
η 0.0005292 Pa×s 373.11 Joback Calculated Property
ΔfusH [15.10; 15.11] kJ/mol [333.40; 333.44] Show Hide
ΔfusH 15.10 kJ/mol 333.40 NIST
ΔfusH 15.10 kJ/mol 333.40 NIST
ΔfusH 15.11 kJ/mol 333.40 NIST
ΔfusH 15.11 kJ/mol 333.44 NIST
ΔsubH 57.90 kJ/mol 221.50 NIST
ΔvapH 40.00 kJ/mol 357.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [288.76; 412.48] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47991e+01
Coefficient B-3.39060e+03
Coefficient C-5.51110e+01
Temperature range, min.288.76
Temperature range, max.412.48
Pvap 1.33 kPa 288.76 Calculated Property
Pvap 2.99 kPa 302.51 Calculated Property
Pvap 6.14 kPa 316.25 Calculated Property
Pvap 11.76 kPa 330.00 Calculated Property
Pvap 21.16 kPa 343.75 Calculated Property
Pvap 36.10 kPa 357.49 Calculated Property
Pvap 58.78 kPa 371.24 Calculated Property
Pvap 91.90 kPa 384.99 Calculated Property
Pvap 138.64 kPa 398.73 Calculated Property
Pvap 202.64 kPa 412.48 Calculated Property
Pvap [11.31; 5791.65] kPa [329.00; 604.40] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.45411e+01
Coefficient B-7.85949e+03
Coefficient C-1.01570e+01
Coefficient D5.95284e-06
Temperature range, min.329.00
Temperature range, max.604.40
Pvap 11.31 kPa 329.00 Calculated Property
Pvap 39.68 kPa 359.60 Calculated Property
Pvap 110.17 kPa 390.20 Calculated Property
Pvap 256.62 kPa 420.80 Calculated Property
Pvap 523.03 kPa 451.40 Calculated Property
Pvap 961.82 kPa 482.00 Calculated Property
Pvap 1633.08 kPa 512.60 Calculated Property
Pvap 2605.42 kPa 543.20 Calculated Property
Pvap 3959.17 kPa 573.80 Calculated Property
Pvap 5791.65 kPa 604.40 Calculated Property

Similar Compounds

1,3,5,7-Tetroxane. Methylal. Methane, trimethoxy-. 1,2,4-Trioxolane. Ether, bis(ethoxymethyl). 1,3,5-Trioxepane. 1,3-Dioxolane. Tetramethyl orthocarbonate. Methane, diethoxy-. (CH3O)2CS. Propynal, dimethylacetal. Carbonic acid, dimethyl ester. Ethane, 1,1-dimethoxy-. 1,1-Dimethoxyethane. Methane, bis(2-chloroethoxy)-.

Find more compounds similar to 1,3,5-Trioxane.

Sources

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

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