- InChI
- InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
- InChI Key
- GELKGHVAFRCJNA-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- CC1(C)CO1
- Molecular Weight1
- 72.11
- CAS
- 558-30-5
- Other Names
-
- 1,1-Dimethylethylene oxide
- 1,2-Epoxyisobutane
- 1,2-Isobutylene oxide
- 1,2-epoxy-2-methylpropane
- 2,2-dimethyloxirane
- 2-Methyl-1-propene oxide
- 2-methyl-1,2-epoxypropane
- Isobutene oxide
- NSC 24249
- Propane, 1,2-epoxy-2-methyl-
- isobutylene oxide
- oxirane, 2,2-dimethyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 | -156.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.00; 10.00] | eV |
|
| IE | 10.00 | eV | NIST |
| IE | 10.00 | eV | NIST |
| logPoct/wat | 0.795 | Crippen Calculated Property | |
| McVol | 62.230 | ml/mol | McGowan Calculated Property |
| Pc | 4350.00 | kPa | Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method |
| Inp | [500.00; 535.00] |
|
|
| Inp | 534.40 | NIST | |
| Inp | 534.70 | NIST | |
| Inp | 535.00 | NIST | |
| Inp | 507.00 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 500.00 | NIST | |
| Inp | 500.00 | NIST | |
| Inp | 500.00 | NIST | |
| Inp | 513.00 | NIST | |
| Inp | 500.00 | NIST | |
| Inp | 534.40 | NIST | |
| Tboil | [323.15; 347.65] | K |
|
| Tboil | 325.00 | K | NIST |
| Tboil | 325.20 | K | NIST |
| Tboil | 323.15 ± 1.50 | K | NIST |
| Tboil | 324.65 ± 2.00 | K | NIST |
| Tboil | 325.15 ± 3.00 | K | NIST |
| Tboil | Outlier 347.65 ± 5.00 | K | NIST |
| Tfus | 207.00 ± 0.60 | K | NIST |
Cheméo can also estimate Critical Temperature, 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 |
|---|---|---|---|---|
| ΔvapH | 30.60 | kJ/mol | 266.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [80.33; 232.28] | 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 | -8.36600e+01 | |||
| Coefficient B | 8.23640e-01 | |||
| Coefficient C | -9.32700e-04 | |||
| Coefficient D | 4.25000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 80.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 109.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 133.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 151.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 165.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 178.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 189.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 201.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 215.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 232.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.72] | kPa | [204.00; 328.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32429e+01 | |||
| Coefficient B | -2.47639e+03 | |||
| Coefficient C | -4.17700e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 204.00 | |||
| Temperature range, max. | 328.70 | |||
| Pvap | 0.13 | kPa | 204.00 | Calculated Property |
| Pvap | 0.44 | kPa | 217.86 | Calculated Property |
| Pvap | 1.23 | kPa | 231.71 | Calculated Property |
| Pvap | 2.98 | kPa | 245.57 | Calculated Property |
| Pvap | 6.46 | kPa | 259.42 | Calculated Property |
| Pvap | 12.76 | kPa | 273.28 | Calculated Property |
| Pvap | 23.34 | kPa | 287.13 | Calculated Property |
| Pvap | 40.03 | kPa | 300.99 | Calculated Property |
| Pvap | 65.00 | kPa | 314.84 | Calculated Property |
| Pvap | 100.72 | kPa | 328.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylene epoxide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Effect of anion species on infinite dilution activity coefficients of epoxides in imidazolium-based ionic liquids
- Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
- Joback Method
- McGowan Method
- NIST Webbook
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