Chemical Properties of 1,4-Dioxane (CAS 123-91-1)

1,4-Dioxane

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InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChI Key
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
C1COCCO1
Molecular Weight1
88.11
CAS
123-91-1
Other Names
  • 1,4-Diethylene dioxide
  • 1,4-Diethyleneoxide
  • 1,4-Dioxacyclohexane
  • 1,4-Dioxan
  • 1,4-Dioxin, tetrahydro-
  • Di(ethylene oxide)
  • Diethylene dioxide
  • Diethylene ether
  • Diokan
  • Dioksan
  • Diossano-1,4
  • Dioxaan-1,4
  • Dioxan
  • Dioxan-1,4
  • Dioxane
  • Dioxane-1,4
  • Dioxanne
  • Dioxyethylene ether
  • Glycol ethylene ether
  • Glycol ethylene ether 8
  • NCI-C03689
  • NE 220
  • NSC 8728
  • Rcra waste number U108
  • Tetrahydro-1,4-dioxin
  • Tetrahydro-p-dioxin
  • UN 1165
  • p-Dioxan
  • p-Dioxane
  • p-Dioxin, tetrahydro-
Sources

Physical Properties

Property Value Unit Source
PAff 797.40 kJ/mol NIST
BasG 770.00 kJ/mol NIST
Δcliquid [-2363.90; -2186.80] kJ/mol Show Hide
Δcliquid -2362.23 ± 0.99 kJ/mol NIST
Δcliquid -2363.90 ± 0.50 kJ/mol NIST
Δcliquid -2346.20 kJ/mol NIST
Δcliquid -2186.80 kJ/mol NIST
Δf -157.28 kJ/mol Joback Calculated Property
Δfgas -315.30 ± 0.80 kJ/mol NIST
Δfgas -318.00 ± 2.00 kJ/mol NIST
Δfliquid -355.13 ± 0.86 kJ/mol NIST
Δfliquid -353.50 ± 0.80 kJ/mol NIST
Δfus 12.84 kJ/mol Joback Calculated Property
Δvap [34.10; 39.80] kJ/mol Show Hide
Δvap 38.66 kJ/mol NIST
Δvap 38.64 ± 0.05 kJ/mol NIST
Δvap 39.80 kJ/mol NIST
Δvap 38.60 ± 0.10 kJ/mol NIST
Δvap 35.50 kJ/mol NIST
Δvap 34.10 kJ/mol NIST
Δvap 37.49 kJ/mol NIST
IE [9.13; 9.43] eV Show Hide
IE 9.19 ± 0.01 eV NIST
IE 9.19 ± 0.01 eV NIST
IE 9.13 ± 0.03 eV NIST
IE 9.40 eV NIST
IE 9.43 eV NIST
IE 9.41 eV NIST
IE 9.30 ± 0.10 eV NIST
IE 9.43 eV NIST
logPoct/wat 0.033 Crippen Calculated Property
Pc 5471.55 ± 303.98 kPa NIST
Pc 5210.00 ± 68.94 kPa NIST
Pc 5000.00 ± 70.00 kPa NIST
gas 299.91 J/mol×K NIST
liquid 196.60 J/mol×K NIST
Tboil [372.00; 375.00] K Show Hide
Tboil 374.20 K NIST
Tboil 374.00 ± 0.40 K NIST
Tboil 374.50 K NIST
Tboil 374.55 ± 0.25 K NIST
Tboil 374.45 K NIST
Tboil 374.70 ± 0.30 K NIST
Tboil 374.40 ± 0.40 K NIST
Tboil 374.55 ± 0.30 K NIST
Tboil 374.25 ± 0.20 K NIST
Tboil Outlier 372.00 ± 3.00 K NIST
Tboil 374.15 ± 0.50 K NIST
Tboil 373.15 ± 1.00 K NIST
Tboil 375.00 ± 0.20 K NIST
Tboil 374.65 ± 0.50 K NIST
Tboil 374.50 ± 0.30 K NIST
Tboil 374.50 ± 0.30 K NIST
Tboil 374.15 ± 1.00 K NIST
Tboil 374.41 ± 0.10 K NIST
Tboil 374.45 ± 0.30 K NIST
Tboil 373.40 ± 0.30 K NIST
Tboil 374.60 ± 0.50 K NIST
Tboil 373.80 ± 0.50 K NIST
Tc [585.15; 588.15] K Show Hide
Tc 587.30 ± 1.00 K NIST
Tc 588.15 ± 2.00 K NIST
Tc 588.00 ± 2.00 K NIST
Tc 585.15 ± 2.00 K NIST
Tfus [278.54; 285.35] K Show Hide
Tfus 284.95 ± 0.10 K NIST
Tfus 284.95 K NIST
Tfus Outlier 278.54 ± 0.10 K NIST
Tfus 284.95 ± 0.05 K NIST
Tfus 284.95 ± 0.20 K NIST
Tfus 285.35 ± 0.50 K NIST
Tfus 285.00 ± 0.20 K NIST
Tfus 284.70 ± 0.40 K NIST
Tfus 284.90 ± 0.30 K NIST
Tfus 284.91 ± 0.30 K NIST
Tfus 284.95 ± 0.20 K NIST
Tfus 284.94 ± 0.15 K NIST
Tfus 284.95 ± 0.20 K NIST
Tfus 284.15 ± 0.50 K NIST
Tfus 284.93 ± 0.02 K NIST
Tfus 283.52 ± 0.20 K NIST
Tfus 284.80 ± 0.50 K NIST
Tfus 283.20 ± 0.20 K NIST
Tfus 283.20 ± 1.50 K NIST
Ttriple 284.10 ± 0.20 K NIST
Vc 0.239 ± 0.008 m3/kg-mol NIST
Vc 0.239 ± 0.004 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 118.28 J/mol×K 369.04 Joback Calculated Property
Cp,liquid [140.20; 155.60] J/mol×K [291.00; 298.20] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 146.00 J/mol×K 291.0 NIST
Cp,liquid 154.80 J/mol×K 296.0 NIST
Cp,liquid 149.00 J/mol×K 298.0 NIST
Cp,liquid 140.20 J/mol×K 298.0 NIST
Cp,liquid 155.60 J/mol×K 298.0 NIST
Cp,liquid 147.90 J/mol×K 298.0 NIST
Cp,liquid 149.65 J/mol×K 298.15 NIST
Cp,liquid 150.57 J/mol×K 298.15 NIST
Cp,liquid 149.49 J/mol×K 298.15 NIST
Cp,liquid 150.65 J/mol×K 298.15 NIST
Cp,liquid 150.77 J/mol×K 298.15 NIST
Cp,liquid 149.73 J/mol×K 298.15 NIST
Cp,liquid 149.00 J/mol×K 298.15 NIST
Cp,liquid 147.90 J/mol×K 298.15 NIST
Cp,liquid 152.97 J/mol×K 298.2 NIST
η 0.0004426 Pa×s 369.04 Joback Calculated Property
ΔfusH 2.35 kJ/mol 272.9 NIST
ΔfusH 12.84 kJ/mol 284.1 NIST
ΔsubH 35.60 kJ/mol 254.5 NIST
ΔvapH [34.16; 38.00] kJ/mol [273.00; 374.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 35.80 kJ/mol 273.0 NIST
ΔvapH 37.00 kJ/mol 318.0 NIST
ΔvapH 38.00 kJ/mol 330.0 NIST
ΔvapH 37.30 kJ/mol 345.5 NIST
ΔvapH 36.50 kJ/mol 350.5 NIST
ΔvapH 34.16 kJ/mol 374.5 NIST
ΔfusS 8.79 J/mol×K 272.9 NIST
ΔfusS 45.19 J/mol×K 284.1 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
-CH2- (ring) 4

Similar Compounds

1,4-Dioxyl radical. 2,5-Dioxaheptane. Ethane, 1-ethoxy-2-methoxy-. Ethanol, 2-ethoxy-. Ethane, 1,2-diethoxy-. Ethanol, 2,2'-oxybis-. Ethane, 1,2-dimethoxy-. Ethane, 1,1'-oxybis[2-methoxy-. Ethanol, 2-(2-methoxyethoxy)-. HO[CH2CH2O]5H. Hexaethylene glycol dimethyl ether. 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol. Hexaethylene glycol monoethyl ether. 2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol. Tetraethyleneglycol monomethylether.

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