Chemical Properties of 1,3-Dioxane (CAS 505-22-6)

1,3-Dioxane

InChI
InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
InChI Key
VDFVNEFVBPFDSB-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
C1COCOC1
Molecular Weight1
88.11
CAS
505-22-6
Other Names
  • 1,3-dioxacyclohexane
  • 1,3-propanediol formal
  • m-dioxane
  • m-dioxin, dihydro-
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Physical Properties

Property Value Unit Source
PAff 825.40 kJ/mol NIST
BasG 796.20 kJ/mol NIST
ΔcH°liquid [-2340.80; -2322.00] kJ/mol Show Hide
ΔcH°liquid -2339.86 ± 0.99 kJ/mol NIST
ΔcH°liquid -2332.80 ± 1.80 kJ/mol NIST
ΔcH°liquid -2331.90 ± 0.84 kJ/mol NIST
ΔcH°liquid -2340.80 ± 0.59 kJ/mol NIST
ΔcH°liquid -2322.00 kJ/mol NIST
ΔcH°liquid -2331.30 ± 0.84 kJ/mol NIST
ΔfH°gas [-350.00; -338.40] kJ/mol Show Hide
ΔfH°gas -338.40 ± 1.10 kJ/mol NIST
ΔfH°gas -349.60 kJ/mol NIST
ΔfH°gas -350.00 ± 2.00 kJ/mol NIST
ΔfH°gas -341.00 ± 2.00 kJ/mol NIST
ΔfH°liquid [-385.00; -376.60] kJ/mol Show Hide
ΔfH°liquid -377.50 ± 1.10 kJ/mol NIST
ΔfH°liquid -384.60 ± 1.80 kJ/mol NIST
ΔfH°liquid -385.00 ± 1.00 kJ/mol NIST
ΔfH°liquid -376.60 ± 0.84 kJ/mol NIST
ΔfusH° 12.84 kJ/mol Joback Calculated Property
ΔvapH° [35.00; 39.10] kJ/mol Show Hide
ΔvapH° 39.09 ± 0.05 kJ/mol NIST
ΔvapH° 39.10 kJ/mol NIST
ΔvapH° 39.10 ± 0.10 kJ/mol NIST
ΔvapH° 35.00 kJ/mol NIST
ΔvapH° 35.60 kJ/mol NIST
ΔvapH° 36.00 ± 0.80 kJ/mol NIST
IE [10.10; 10.33] eV Show Hide
IE 10.33 eV NIST
IE 10.12 eV NIST
IE 10.12 eV NIST
IE 10.10 eV NIST
log10WS 0.82 Relay (1.0) Calculated Property
logPoct/wat 0.381 Crippen Calculated Property
McVol 68.100 ml/mol McGowan Calculated Property
Pc 5235.81 kPa Joback Calculated Property
Inp [701.00; 720.00]   Show Hide
Inp 701.00 NIST
Inp 720.00 NIST
Inp 707.00 NIST
Tboil 378.70 K NIST
Tc 565.69 K Relay (1.0) Calculated Property
Tfus 229.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.242 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 143.90 J/mol×K 298.00 NIST
ΔvapH 39.00 kJ/mol 293.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 378.20 K 101.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [84.68; 243.15] 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-3.76500e+01
Coefficient B5.26400e-01
Coefficient C-3.02400e-04
Coefficient D5.68000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 84.68 J/mol×K 273.00 Calculated Property
Cp,gas 113.25 J/mol×K 353.78 Calculated Property
Cp,gas 138.66 J/mol×K 434.56 Calculated Property
Cp,gas 161.09 J/mol×K 515.33 Calculated Property
Cp,gas 180.72 J/mol×K 596.11 Calculated Property
Cp,gas 197.73 J/mol×K 676.89 Calculated Property
Cp,gas 212.30 J/mol×K 757.67 Calculated Property
Cp,gas 224.60 J/mol×K 838.44 Calculated Property
Cp,gas 234.83 J/mol×K 919.22 Calculated Property
Cp,gas 243.15 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0053315; 0.0003073] Pa×s [229.65; 405.15] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.18215e+01
Coefficient B1.51278e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.229.65
Temperature range, max.405.15
η 0.0053315 Pa×s 229.65 Calculated Property
η 0.0031838 Pa×s 249.15 Calculated Property
η 0.0020490 Pa×s 268.65 Calculated Property
η 0.0013997 Pa×s 288.15 Calculated Property
η 0.0010035 Pa×s 307.65 Calculated Property
η 0.0007486 Pa×s 327.15 Calculated Property
η 0.0005771 Pa×s 346.65 Calculated Property
η 0.0004574 Pa×s 366.15 Calculated Property
η 0.0003712 Pa×s 385.65 Calculated Property
η 0.0003073 Pa×s 405.15 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [273.93; 403.98] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.52109e+01
Coefficient B-3.82420e+03
Coefficient C-1.76730e+01
Temperature range, min.273.93
Temperature range, max.403.98
Pvap 1.33 kPa 273.93 Calculated Property
Pvap 2.96 kPa 288.38 Calculated Property
Pvap 6.05 kPa 302.83 Calculated Property
Pvap 11.55 kPa 317.28 Calculated Property
Pvap 20.78 kPa 331.73 Calculated Property
Pvap 35.51 kPa 346.18 Calculated Property
Pvap 57.99 kPa 360.63 Calculated Property
Pvap 91.02 kPa 375.08 Calculated Property
Pvap 137.94 kPa 389.53 Calculated Property
Pvap 202.66 kPa 403.98 Calculated Property

Similar Compounds

1,3,7,9 Tetraoxacyclododecane. Methane, dipropoxy-. Ethoxypropoxymethane. 1,3-Dioxane, 2-methyl-. 1,3-Dioxepane. 2-ethyl-1,3-dioxane. TRIPROPYL ORTHOFORMATE. Dibutoxymethane. Propane, 1,3-dimethoxy-. Propane, 1,1'-[methylenebis(oxy)]bis[2-methyl-. 1,3-Dioxan-5-ol. 2-Hydroxymethyl-1,3-dioxane. Propane, 1,1'-[ethylidenebis(oxy)]bis-. 3-Methyl-4,6-dioxanonane. Propane, 1-(1-ethoxyethoxy)-.

Find more compounds similar to 1,3-Dioxane.

Mixtures

Sources

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