- InChI
- InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3
- InChI Key
- PGYJSURPYAAOMM-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=COC(C)(C)C
- Molecular Weight1
- 100.16
- CAS
- 926-02-3
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -223.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.80 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.945 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Inp | 559.00 | NIST | |
| Tboil | 334.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.90; 320.33] | 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 | -4.53000e+00 | |||
| Coefficient B | 6.16460e-01 | |||
| Coefficient C | -3.86300e-04 | |||
| Coefficient D | 9.47000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 223.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 245.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 281.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 296.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 309.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0060601; 0.0002109] | Pa×s | [180.27; 372.58] |
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 | -1.16122e+01 | |||
| Coefficient B | 1.17287e+03 | |||
| 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. | 180.27 | |||
| Temperature range, max. | 372.58 | |||
| η | 0.0060601 | Pa×s | 180.27 | Calculated Property |
| η | 0.0030412 | Pa×s | 201.64 | Calculated Property |
| η | 0.0017418 | Pa×s | 223.00 | Calculated Property |
| η | 0.0010997 | Pa×s | 244.37 | Calculated Property |
| η | 0.0007476 | Pa×s | 265.74 | Calculated Property |
| η | 0.0005383 | Pa×s | 287.11 | Calculated Property |
| η | 0.0004056 | Pa×s | 308.47 | Calculated Property |
| η | 0.0003171 | Pa×s | 329.84 | Calculated Property |
| η | 0.0002554 | Pa×s | 351.21 | Calculated Property |
| η | 0.0002109 | Pa×s | 372.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [259.52; 399.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32430e+01 | |||
| Coefficient B | -2.87072e+03 | |||
| Coefficient C | -3.79360e+01 | |||
| Temperature range, min. | 259.52 | |||
| Temperature range, max. | 399.87 | |||
| Pvap | 1.33 | kPa | 259.52 | Calculated Property |
| Pvap | 3.12 | kPa | 275.11 | Calculated Property |
| Pvap | 6.59 | kPa | 290.71 | Calculated Property |
| Pvap | 12.76 | kPa | 306.30 | Calculated Property |
| Pvap | 22.95 | kPa | 321.90 | Calculated Property |
| Pvap | 38.85 | kPa | 337.49 | Calculated Property |
| Pvap | 62.43 | kPa | 353.09 | Calculated Property |
| Pvap | 95.92 | kPa | 368.68 | Calculated Property |
| Pvap | 141.78 | kPa | 384.28 | Calculated Property |
| Pvap | 202.64 | kPa | 399.87 | Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl vinyl ether.
Sources
- 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
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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