- InChI
- InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3
- InChI Key
- PQXKWPLDPFFDJP-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- CC1OC1C
- Molecular Weight1
- 72.11
- CAS
- 3266-23-7
- Other Names
-
- 2,3-Butylene oxide
- 2,3-Dimethyloxirane
- 2,3-Dimethyloxirane, # 1
- 2,3-Dimethyloxirane, # 2
- 2-Butene epoxide
- 2-Butene expoxide
- 2-Butene oxide
- Butane, 2,3-epoxy-
- Oxirane, 2,3-dimethyl-
- «beta»-Butylene oxide
- «beta»-Oxybutene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -156.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.794 | Crippen Calculated Property | |
| McVol | 62.230 | ml/mol | McGowan Calculated Property |
| Inp | [511.00; 539.00] |
|
|
| Inp | 512.00 | NIST | |
| Inp | 511.00 | NIST | |
| Inp | 511.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | 512.00 | NIST | |
| Inp | 539.00 | NIST | |
| Tboil | [329.00; 332.50] | K |
|
| Tboil | 332.50 ± 1.50 | K | NIST |
| Tboil | 329.00 ± 4.00 | K | NIST |
| Tc | 484.77 | K | Relay (1.0) Calculated Property |
| Tfus | 190.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [86.52; 231.61] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.77300e+01 | |||
| Coefficient B | 5.05240e-01 | |||
| Coefficient C | -3.44700e-04 | |||
| Coefficient D | 9.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 86.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 112.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 134.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 154.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 171.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 186.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 200.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 211.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 222.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 231.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003276; 0.0002287] | Pa×s | [190.65; 349.98] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -8.81285e+00 | |||
| Coefficient B | 1.50420e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 190.65 | |||
| Temperature range, max. | 349.98 | |||
| η | 0.0003276 | Pa×s | 190.65 | Calculated Property |
| η | 0.0003063 | Pa×s | 208.35 | Calculated Property |
| η | 0.0002895 | Pa×s | 226.06 | Calculated Property |
| η | 0.0002758 | Pa×s | 243.76 | Calculated Property |
| η | 0.0002645 | Pa×s | 261.46 | Calculated Property |
| η | 0.0002551 | Pa×s | 279.16 | Calculated Property |
| η | 0.0002470 | Pa×s | 296.87 | Calculated Property |
| η | 0.0002400 | Pa×s | 314.57 | Calculated Property |
| η | 0.0002340 | Pa×s | 332.27 | Calculated Property |
| η | 0.0002287 | Pa×s | 349.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Epoxybutane.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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