Chemical Properties of 1,3-Dioxolan-2-one (CAS 96-49-1)

1,3-Dioxolan-2-one

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InChI
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
InChI Key
KMTRUDSVKNLOMY-UHFFFAOYSA-N
Formula
C3H4O3
SMILES
O=C1OCCO1
Molecular Weight1
88.06
CAS
96-49-1
Other Names
  • 1,3-Dioxacyclopentan-2-one
  • 2-Dioxolone
  • CYCLIC ETHYLENE CARBONATE
  • Carbonic acid, cyclic ethylene ester
  • Dioxolone-2
  • ETHYLENE CARBONATE
  • ETHYLENE GLYCOL CARBONATE
  • Ethylene glycol, cyclic carbonate
  • Ethylenester kyseliny uhlicite
  • Glycol carbonate
  • NSC 11801
  • Texacar EC
  • carbonic acid, ethylene ester
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Physical Properties

Property Value Unit Source
PAff 814.20 kJ/mol NIST
BasG 784.40 kJ/mol NIST
Δcliquid -1069.30 ± 2.10 kJ/mol NIST
Δcsolid [-1171.32; -1161.40] kJ/mol Show Hide
Δcsolid -1161.40 kJ/mol NIST
Δcsolid -1165.90 ± 3.70 kJ/mol NIST
Δcsolid -1170.60 ± 0.40 kJ/mol NIST
Δcsolid -1171.32 kJ/mol NIST
Δf -276.19 kJ/mol Joback Calculated Property
Δfgas -503.00 ± 4.20 kJ/mol NIST
Δfliquid -682.80 ± 2.10 kJ/mol NIST
Δfsolid [-590.90; -581.60] kJ/mol Show Hide
Δfsolid -590.90 kJ/mol NIST
Δfsolid -586.30 ± 3.80 kJ/mol NIST
Δfsolid -581.60 ± 0.40 kJ/mol NIST
Δfus 11.86 kJ/mol Joback Calculated Property
Δvap [60.80; 179.80] kJ/mol Show Hide
Δvap 60.80 ± 0.10 kJ/mol NIST
Δvap 64.00 ± 0.10 kJ/mol NIST
Δvap 63.40 ± 0.30 kJ/mol NIST
Δvap 78.50 ± 4.20 kJ/mol NIST
Δvap Outlier 179.80 kJ/mol NIST
Δvap 62.40 kJ/mol NIST
IE [10.40; 11.47] eV Show Hide
IE 10.40 eV NIST
IE 10.40 eV NIST
IE 10.70 eV NIST
IE 11.10 eV NIST
IE 11.47 eV NIST
log10WS 0.10 Crippen Calculated Property
logPoct/wat 0.153 Crippen Calculated Property
McVol 55.580 ml/mol McGowan Calculated Property
Pc 6141.84 kPa Joback Calculated Property
solid,1 bar [132.54; 132.54] J/mol×K Show Hide
solid,1 bar 132.54 J/mol×K NIST
solid,1 bar 132.54 J/mol×K NIST
Tboil 409.71 K Joback Calculated Property
Tc 635.21 K Joback Calculated Property
Tfus [308.53; 312.95] K Show Hide
Tfus 308.53 K Efficie...
Tfus 311.15 K Charact...
Tfus 308.90 ± 0.80 K NIST
Tfus Outlier 312.95 ± 0.20 K NIST
Tfus 309.65 ± 0.15 K NIST
Tfus 309.45 ± 0.20 K NIST
Tfus 311.15 ± 1.50 K NIST
Tfus 308.95 ± 0.50 K NIST
Tfus 309.50 ± 0.60 K NIST
Ttriple [309.47; 309.49] K Show Hide
Ttriple 309.49 K KDB
Ttriple 309.47 ± 0.00 K NIST
Ttriple 309.49 ± 0.02 K NIST
Vc 0.195 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [105.45; 147.91] J/mol×K [409.71; 635.21] Show Hide
Cp,gas 105.45 J/mol×K 409.71 Joback Calculated Property
Cp,gas 113.28 J/mol×K 447.29 Joback Calculated Property
Cp,gas 120.83 J/mol×K 484.88 Joback Calculated Property
Cp,gas 128.08 J/mol×K 522.46 Joback Calculated Property
Cp,gas 135.02 J/mol×K 560.05 Joback Calculated Property
Cp,gas 141.63 J/mol×K 597.63 Joback Calculated Property
Cp,gas 147.91 J/mol×K 635.21 Joback Calculated Property
Cp,liquid [133.90; 158.51] J/mol×K [323.15; 398.15] Show Hide
Cp,liquid 133.90 J/mol×K 323.15 NIST
Cp,liquid 155.87 J/mol×K 383.15 Vapor P...
Cp,liquid 156.75 J/mol×K 388.15 Vapor P...
Cp,liquid 157.63 J/mol×K 393.15 Vapor P...
Cp,liquid 158.51 J/mol×K 398.15 Vapor P...
Cp,solid [117.44; 117.44] J/mol×K [298.15; 298.15] Show Hide
Cp,solid 117.44 J/mol×K 298.15 NIST
Cp,solid 117.44 J/mol×K 298.15 NIST
ΔfusH [13.02; 13.30] kJ/mol [309.49; 311.20] Show Hide
ΔfusH 13.29 kJ/mol 309.49 NIST
ΔfusH 13.29 kJ/mol 309.49 NIST
ΔfusH 13.30 kJ/mol 309.50 NIST
ΔfusH 13.30 kJ/mol 309.50 NIST
ΔfusH 13.02 kJ/mol 311.20 NIST
ΔsubH 68.70 kJ/mol 285.00 NIST
ΔvapH [55.00; 60.30] kJ/mol [400.50; 423.00] Show Hide
ΔvapH 55.00 kJ/mol 400.50 NIST
ΔvapH 60.30 kJ/mol 408.50 NIST
ΔvapH 56.30 kJ/mol 408.50 NIST
ΔvapH 59.60 kJ/mol 409.00 NIST
ΔvapH 56.48 kJ/mol 423.00 NIST
Pvap [0.01; 0.47] kPa [310.30; 369.50] Show Hide
Pvap 0.01 kPa 310.30 Vapour ...
Pvap 0.02 kPa 314.40 Vapour ...
Pvap 0.02 kPa 314.50 Vapour ...
Pvap 0.02 kPa 317.30 Vapour ...
Pvap 0.02 kPa 320.30 Vapour ...
Pvap 0.02 kPa 320.40 Vapour ...
Pvap 0.03 kPa 323.50 Vapour ...
Pvap 0.03 kPa 324.40 Vapour ...
Pvap 0.04 kPa 327.40 Vapour ...
Pvap 0.04 kPa 328.60 Vapour ...
Pvap 0.05 kPa 331.30 Vapour ...
Pvap 0.04 kPa 333.15 Low pre...
Pvap 0.06 kPa 333.60 Vapour ...
Pvap 0.07 kPa 335.40 Vapour ...
Pvap 0.07 kPa 338.15 Low pre...
Pvap 0.08 kPa 338.70 Vapour ...
Pvap 0.10 kPa 341.40 Vapour ...
Pvap 0.10 kPa 342.30 Vapour ...
Pvap 0.09 kPa 343.15 Low pre...
Pvap 0.11 kPa 343.80 Vapour ...
Pvap 0.12 kPa 345.20 Vapour ...
Pvap 0.14 kPa 347.60 Vapour ...
Pvap 0.12 kPa 348.15 Low pre...
Pvap 0.15 kPa 349.00 Vapour ...
Pvap 0.19 kPa 352.40 Vapour ...
Pvap 0.17 kPa 353.15 Low pre...
Pvap 0.20 kPa 354.00 Vapour ...
Pvap 0.25 kPa 357.50 Vapour ...
Pvap 0.26 kPa 358.90 Vapour ...
Pvap 0.29 kPa 360.60 Vapour ...
Pvap 0.33 kPa 363.20 Vapour ...
Pvap 0.35 kPa 364.10 Vapour ...
Pvap 0.40 kPa 366.70 Vapour ...
Pvap 0.47 kPa 369.50 Vapour ...
ρl [1315.70; 1350.00] kg/m3 [298.15; 318.15] Show Hide
ρl 1350.00 kg/m3 298.15 Low pre...
ρl 1315.70 kg/m3 318.15 Solid-l...
ρs 1320.00 kg/m3 293.00 Cyclic ...
ΔfusS [42.96; 42.96] J/mol×K [309.49; 309.49] Show Hide
ΔfusS 42.96 J/mol×K 309.49 NIST
ΔfusS 42.96 J/mol×K 309.49 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 516.70 K 98.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 226.20] kPa [391.32; 552.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.59477e+01
Coefficient B-5.16933e+03
Coefficient C-6.12240e+01
Temperature range, min.391.32
Temperature range, max.552.31
Pvap 1.33 kPa 391.32 Calculated Property
Pvap 2.98 kPa 409.21 Calculated Property
Pvap 6.17 kPa 427.10 Calculated Property
Pvap 11.91 kPa 444.98 Calculated Property
Pvap 21.70 kPa 462.87 Calculated Property
Pvap 37.57 kPa 480.76 Calculated Property
Pvap 62.18 kPa 498.65 Calculated Property
Pvap 98.92 kPa 516.53 Calculated Property
Pvap 151.94 kPa 534.42 Calculated Property
Pvap 226.20 kPa 552.31 Calculated Property
Pvap [6.83e-03; 6634.23] kPa [309.55; 790.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.59483e+01
Coefficient B-1.14946e+04
Coefficient C-1.11778e+01
Coefficient D3.17385e-06
Temperature range, min.309.55
Temperature range, max.790.00
Pvap 6.83e-03 kPa 309.55 Calculated Property
Pvap 0.30 kPa 362.93 Calculated Property
Pvap 4.35 kPa 416.32 Calculated Property
Pvap 30.24 kPa 469.70 Calculated Property
Pvap 130.53 kPa 523.08 Calculated Property
Pvap 406.10 kPa 576.47 Calculated Property
Pvap 1003.29 kPa 629.85 Calculated Property
Pvap 2100.77 kPa 683.23 Calculated Property
Pvap 3900.82 kPa 736.62 Calculated Property
Pvap 6634.23 kPa 790.00 Calculated Property

Similar Compounds

Diethyl carbonate. Carbonic acid, ethyl-, methyl ester. Ethanol, 2-methoxy-, carbonate (2:1). 4-Chloro-1,3-dioxolan-2-one. Diethyl pyrocarbonate. 1,2-Ethanediol, diformate. 2-Chloroethyl carbonate. 1,3-Dioxolane. 2-Chloroethyl ethyl carbonate. 2-Methoxy ethyl formate. 1,2-Ethanediol, monoformate. 2,2-Dichloroethyl ethyl carbonate. Carbonic acid, ethyl 2-propenyl ester. Ethylene oxalate. 1,2-Ethanediol, diacetate.

Find more compounds similar to 1,3-Dioxolan-2-one.

Mixtures

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Sources

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