- InChI
- InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
- InChI Key
- RBACIKXCRWGCBB-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- CCC1CO1
- Molecular Weight1
- 72.11
- CAS
- 106-88-7
- Other Names
-
- (.+/-.)-2-Ethyloxirane
- .alpha.-butylene oxide
- 1,2-Monoepoxybutane
- 1,2-butene oxide
- 1,2-butylene epoxide
- 1,2-butylene oxide
- 1,2-epoxybutane
- 1-Butylene oxide
- 1-butene oxide
- 2-ethyloxirane
- ALPHA-BUTYLENE OXIDE
- But-1-ene oxide
- Butylene oxide
- DL-1,2-Epoxybutane
- Epoxybutane
- Ethylene oxide, ethyl-
- NCI-C55527
- NSC 24240
- Oxirane, 2-ethyl-
- butane, 1,2-epoxy-
- butene 1,2-epoxide
- ethylethylene oxide
- ethyloxirane
- n-Butene-1,2-oxide
- «alpha»-Butylene oxide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°gas : Molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2548.50 ± 2.60 | kJ/mol | NIST |
| ΔfH°gas | -94.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -168.90 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 12.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | NIST |
| logPoct/wat | 0.795 | Crippen Calculated Property | |
| McVol | 62.230 | ml/mol | McGowan Calculated Property |
| Inp | [551.00; 600.00] |
|
|
| Inp | 587.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 587.40 | NIST | |
| Inp | 587.80 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 574.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 571.00 | NIST | |
| Inp | 579.00 | NIST | |
| Inp | 582.00 | NIST | |
| Inp | 582.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 551.00 | NIST | |
| I | [840.00; 878.00] |
|
|
| I | 878.00 | NIST | |
| I | 840.00 | NIST | |
| I | 878.00 | NIST | |
| I | 840.00 | NIST | |
| S°gas | 324.03 | J/mol×K | NIST |
| Tboil | [334.00; 336.50] | K |
|
| Tboil | 336.50 | K | NIST |
| Tboil | 336.45 | K | NIST |
| Tboil | 335.90 ± 1.00 | K | NIST |
| Tboil | 334.00 ± 4.00 | K | NIST |
| Tboil | 335.90 ± 1.00 | K | NIST |
| Tfus | 158.24 | K | Relay (1.0) Calculated Property |
| Ttriple | [143.87; 143.87] | K |
|
| Ttriple | 143.87 ± 0.05 | K | NIST |
| Ttriple | 143.87 ± 0.02 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.18; 149.29] | J/mol×K | [324.81; 505.54] |
|
| Cp,gas | 101.18 | J/mol×K | 324.81 | Joback Calculated Property |
| Cp,gas | 110.33 | J/mol×K | 354.93 | Joback Calculated Property |
| Cp,gas | 119.00 | J/mol×K | 385.05 | Joback Calculated Property |
| Cp,gas | 127.21 | J/mol×K | 415.18 | Joback Calculated Property |
| Cp,gas | 134.98 | J/mol×K | 445.30 | Joback Calculated Property |
| Cp,gas | 142.34 | J/mol×K | 475.42 | Joback Calculated Property |
| Cp,gas | 149.29 | J/mol×K | 505.54 | Joback Calculated Property |
| η | [0.0002987; 0.0008071] | Pa×s | [179.35; 324.81] |
|
| η | 0.0008071 | Pa×s | 179.35 | Joback Calculated Property |
| η | 0.0006196 | Pa×s | 203.59 | Joback Calculated Property |
| η | 0.0005032 | Pa×s | 227.84 | Joback Calculated Property |
| η | 0.0004254 | Pa×s | 252.08 | Joback Calculated Property |
| η | 0.0003703 | Pa×s | 276.32 | Joback Calculated Property |
| η | 0.0003297 | Pa×s | 300.57 | Joback Calculated Property |
| η | 0.0002987 | Pa×s | 324.81 | Joback Calculated Property |
| ΔvapH | 24.70 | kJ/mol | 300.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [228.63; 361.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63613e+01 | |||
| Coefficient B | -4.70155e+03 | |||
| Coefficient C | 6.38710e+01 | |||
| Temperature range, min. | 228.63 | |||
| Temperature range, max. | 361.61 | |||
| Pvap | 1.33 | kPa | 228.63 | Calculated Property |
| Pvap | 2.89 | kPa | 243.41 | Calculated Property |
| Pvap | 5.83 | kPa | 258.18 | Calculated Property |
| Pvap | 11.06 | kPa | 272.96 | Calculated Property |
| Pvap | 19.88 | kPa | 287.73 | Calculated Property |
| Pvap | 34.08 | kPa | 302.51 | Calculated Property |
| Pvap | 56.05 | kPa | 317.28 | Calculated Property |
| Pvap | 88.82 | kPa | 332.06 | Calculated Property |
| Pvap | 136.16 | kPa | 346.83 | Calculated Property |
| Pvap | 202.62 | kPa | 361.61 | Calculated Property |
| Pvap | [2.86e-08; 4281.51] | kPa | [123.15; 526.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.85452e+01 | |||
| Coefficient B | -5.18777e+03 | |||
| Coefficient C | -4.95045e+00 | |||
| Coefficient D | 2.51404e-06 | |||
| Temperature range, min. | 123.15 | |||
| Temperature range, max. | 526.00 | |||
| Pvap | 2.86e-08 | kPa | 123.15 | Calculated Property |
| Pvap | 4.79e-04 | kPa | 167.91 | Calculated Property |
| Pvap | 0.10 | kPa | 212.67 | Calculated Property |
| Pvap | 2.95 | kPa | 257.43 | Calculated Property |
| Pvap | 28.09 | kPa | 302.19 | Calculated Property |
| Pvap | 139.69 | kPa | 346.96 | Calculated Property |
| Pvap | 459.64 | kPa | 391.72 | Calculated Property |
| Pvap | 1148.44 | kPa | 436.48 | Calculated Property |
| Pvap | 2372.37 | kPa | 481.24 | Calculated Property |
| Pvap | 4281.51 | kPa | 526.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, ethyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Effect of anion species on infinite dilution activity coefficients of epoxides in imidazolium-based ionic liquids
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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