- InChI
- InChI=1S/C6H12O/c1-6(2)4-5-7-3/h4-6H,1-3H3/b5-4+
- InChI Key
- NDACTLNPNAMFLK-SNAWJCMRSA-N
- Formula
- C6H12O
- SMILES
- COC=CC(C)C
- Molecular Weight1
- 100.16
- CAS
- 31915-76-1
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -204.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.802 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Tboil | 353.35 | K | Relay (1.0) Calculated Property |
| Tfus | 205.78 | K | Relay (1.0) Calculated Property |
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 | [167.64; 223.98] | J/mol×K | [363.02; 540.62] | 
|
| Cp,gas | 167.64 | J/mol×K | 363.02 | Joback Calculated Property |
| Cp,gas | 177.95 | J/mol×K | 392.62 | Joback Calculated Property |
| Cp,gas | 187.89 | J/mol×K | 422.22 | Joback Calculated Property |
| Cp,gas | 197.45 | J/mol×K | 451.82 | Joback Calculated Property |
| Cp,gas | 206.65 | J/mol×K | 481.42 | Joback Calculated Property |
| Cp,gas | 215.49 | J/mol×K | 511.02 | Joback Calculated Property |
| Cp,gas | 223.98 | J/mol×K | 540.62 | Joback Calculated Property |
| η | [0.0001753; 0.0061309] | Pa×s | [159.53; 363.02] |
|
| η | 0.0061309 | Pa×s | 159.53 | Joback Calculated Property |
| η | 0.0020171 | Pa×s | 193.44 | Joback Calculated Property |
| η | 0.0009246 | Pa×s | 227.36 | Joback Calculated Property |
| η | 0.0005190 | Pa×s | 261.27 | Joback Calculated Property |
| η | 0.0003326 | Pa×s | 295.19 | Joback Calculated Property |
| η | 0.0002337 | Pa×s | 329.11 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 363.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)1-Methoxy-3-methyl-1-butene.
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
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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