- InChI
- InChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3
- InChI Key
- OZVWXRGXOYUQEJ-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CCC1OC1(C)C
- Molecular Weight1
- 100.16
- CAS
- 1192-22-9
- Other Names
-
- 2,3-Epoxy-2-methylpentane
- 2-Methyl-2,3-epoxypentane
- 2-Methyl-2,3-pentylene oxide
- 2-Methyl-2-pentene oxide
- 3-Ethyl-2,2-dimethyl oxirane
- Pentane, 2,3-epoxy-2-methyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1453 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfusH° | 12.18 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 1.574 | Crippen Calculated Property | |
| McVol | 90.410 | ml/mol | McGowan Calculated Property |
| Pc | 3242.40 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [700.30; 707.00] |
|
|
| Inp | 700.30 | NIST | |
| Inp | 700.60 | NIST | |
| Inp | 701.40 | NIST | |
| Inp | 701.40 | NIST | |
| Inp | Outlier 707.00 | NIST | |
| Inp | 700.30 | NIST | |
| Tboil | 356.09 | K | Relay (1.0) Calculated Property |
| Tc | 580.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.356 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy, 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 | 40.60 | kJ/mol | 337.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.02; 342.12] | 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 | -7.95390e+01 | |||
| Coefficient B | 9.87160e-01 | |||
| Coefficient C | -9.86100e-04 | |||
| Coefficient D | 4.20600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 247.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 267.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 285.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 302.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 321.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 342.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, 3-ethyl-2,2-dimethyl-.
Sources
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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