Chemical Properties of Trimethylene oxide (CAS 503-30-0)

Trimethylene oxide

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InChI
InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
InChI Key
AHHWIHXENZJRFG-UHFFFAOYSA-N
Formula
C3H6O
SMILES
C1COC1
Molecular Weight1
58.08
CAS
503-30-0
Other Names
  • 1,2-epoxypropane
  • 1,3-EPOXYPROPANE
  • 1,3-Propylene oxide
  • 1,3-Trimethylene oxide
  • CYCLOOXABUTANE
  • NSC 30086
  • Oxacyclobutane
  • Oxetan
  • Oxetane
  • Propane, 1,3-epoxy-
  • Trimethylenoxid
  • «alpha»,«gamma»-Propane oxide
  • «alpha»,«gamma»-Propane oxide

Physical Properties

Property Value Unit Source
PAff 801.30 kJ/mol NIST
BasG 773.90 kJ/mol NIST
Δcgas -1957.50 ± 0.59 kJ/mol NIST
Δf -55.38 kJ/mol Joback Calculated Property
Δfgas [-80.54; -80.54] kJ/mol Show Hide
Δfgas -80.54 kJ/mol NIST
Δfgas -80.54 ± 0.63 kJ/mol NIST
Δfus 6.47 kJ/mol Joback Calculated Property
Δvap [29.80; 30.21] kJ/mol Show Hide
Δvap 30.21 kJ/mol NIST
Δvap 29.80 kJ/mol NIST
IE [9.60; 9.68] eV Show Hide
IE 9.65 ± 0.01 eV NIST
IE 9.65 eV NIST
IE 9.64 ± 0.05 eV NIST
IE 9.60 eV NIST
IE 9.63 eV NIST
IE 9.67 ± 0.01 eV NIST
IE 9.68 eV NIST
log10WS -0.06 Crippen Calculated Property
logPoct/wat 0.407 Crippen Calculated Property
McVol 48.140 ml/mol McGowan Calculated Property
Pc 5678.82 kPa Joback Calculated Property
Inp [539.00; 553.00]   Show Hide
Inp 539.00 NIST
Inp 544.00 NIST
Inp 543.00 NIST
Inp 542.00 NIST
Inp Outlier 553.00 NIST
Inp 542.00 NIST
Tboil [320.70; 323.20] K Show Hide
Tboil 323.20 K NIST
Tboil 320.70 K NIST
Tboil 320.80 K NIST
Tboil 321.65 ± 0.50 K NIST
Tboil 320.90 ± 1.00 K NIST
Tc 507.90 K NIST
Tfus 176.15 ± 1.00 K NIST
Vc 0.174 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [61.20; 108.65] J/mol×K [298.15; 523.15] Show Hide
Cp,gas 61.20 ± 0.12 J/mol×K 298.15 NIST
Cp,gas 66.66 ± 0.13 J/mol×K 323.15 NIST
Cp,gas 72.18 ± 0.14 J/mol×K 348.15 NIST
Cp,gas 77.84 ± 0.15 J/mol×K 373.15 NIST
Cp,gas 83.34 ± 0.17 J/mol×K 398.15 NIST
Cp,gas 88.72 ± 0.18 J/mol×K 423.15 NIST
Cp,gas 94.05 ± 0.19 J/mol×K 448.15 NIST
Cp,gas 99.08 ± 0.20 J/mol×K 473.15 NIST
Cp,gas 103.93 ± 0.21 J/mol×K 498.15 NIST
Cp,gas 108.65 ± 0.22 J/mol×K 523.15 NIST
Cp,liquid 99.60 J/mol×K 298.00 NIST
η [0.0003273; 0.0025925] Pa×s [168.80; 310.67] Show Hide
η 0.0025925 Pa×s 168.80 Joback Calculated Property
η 0.0014856 Pa×s 192.44 Joback Calculated Property
η 0.0009616 Pa×s 216.09 Joback Calculated Property
η 0.0006782 Pa×s 239.73 Joback Calculated Property
η 0.0005092 Pa×s 263.38 Joback Calculated Property
η 0.0004009 Pa×s 287.02 Joback Calculated Property
η 0.0003273 Pa×s 310.67 Joback Calculated Property
ΔfusH 6.27 kJ/mol 177.50 NIST
ΔvapH 28.67 kJ/mol 320.80 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.62] kPa [233.14; 345.69] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42723e+01
Coefficient B-2.80745e+03
Coefficient C-3.23930e+01
Temperature range, min.233.14
Temperature range, max.345.69
Pvap 1.33 kPa 233.14 Calculated Property
Pvap 3.03 kPa 245.65 Calculated Property
Pvap 6.28 kPa 258.15 Calculated Property
Pvap 12.05 kPa 270.66 Calculated Property
Pvap 21.69 kPa 283.16 Calculated Property
Pvap 36.92 kPa 295.67 Calculated Property
Pvap 59.88 kPa 308.17 Calculated Property
Pvap 93.12 kPa 320.68 Calculated Property
Pvap 139.60 kPa 333.18 Calculated Property
Pvap 202.62 kPa 345.69 Calculated Property
Pvap [1.05; 5672.67] kPa [230.00; 520.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.48554e+01
Coefficient B-5.14105e+03
Coefficient C-6.01475e+00
Coefficient D4.77029e-06
Temperature range, min.230.00
Temperature range, max.520.00
Pvap 1.05 kPa 230.00 Calculated Property
Pvap 8.01 kPa 262.22 Calculated Property
Pvap 37.13 kPa 294.44 Calculated Property
Pvap 122.42 kPa 326.67 Calculated Property
Pvap 317.36 kPa 358.89 Calculated Property
Pvap 691.15 kPa 391.11 Calculated Property
Pvap 1323.31 kPa 423.33 Calculated Property
Pvap 2300.16 kPa 455.56 Calculated Property
Pvap 3715.12 kPa 487.78 Calculated Property
Pvap 5672.67 kPa 520.00 Calculated Property

Similar Compounds

Methyl propyl ether. Propane, 1,3-dimethoxy-. Propylene oxide. Oxirane, methyl-, (S)-. Di-n-propyl ether. Propane, 1-ethoxy-. Propiolactone. CH2CH2CH2OH. Trimethylene glycol monomethyl ether. Formic acid, propyl ester. Propane, 1-chloro-3-methoxy-. 1,3-Diethoxypropane. Oxetane, 3-methyl. CH3O[CH2CH2CH2O]3CH3. Propanal, 3-methoxy-.

Find more compounds similar to Trimethylene oxide.

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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