- InChI
- InChI=1S/C7H12O/c1-5-6(8-5)7(2,3)4/h1-4H3
- InChI Key
- WFKRADMNVAKTTM-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CC1=C(C(C)(C)C)O1
- Molecular Weight1
- 112.17
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 3.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 2.294 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| I | [1246.00; 1246.00] |
|
|
| I | 1246.00 | NIST | |
| I | 1246.00 | NIST | |
| Tboil | 403.81 | K | Joback Calculated Property |
| Tc | 601.23 | K | Joback Calculated Property |
| Tfus | 245.62 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.57; 261.51] | J/mol×K | [403.81; 601.23] |
|
| Cp,gas | 199.57 | J/mol×K | 403.81 | Joback Calculated Property |
| Cp,gas | 211.68 | J/mol×K | 436.71 | Joback Calculated Property |
| Cp,gas | 223.02 | J/mol×K | 469.62 | Joback Calculated Property |
| Cp,gas | 233.62 | J/mol×K | 502.52 | Joback Calculated Property |
| Cp,gas | 243.54 | J/mol×K | 535.42 | Joback Calculated Property |
| Cp,gas | 252.82 | J/mol×K | 568.32 | Joback Calculated Property |
| Cp,gas | 261.51 | J/mol×K | 601.23 | Joback Calculated Property |
| η | [0.0004195; 0.0019723] | Pa×s | [245.62; 403.81] |
|
| η | 0.0019723 | Pa×s | 245.62 | Joback Calculated Property |
| η | 0.0013447 | Pa×s | 271.99 | Joback Calculated Property |
| η | 0.0009810 | Pa×s | 298.35 | Joback Calculated Property |
| η | 0.0007533 | Pa×s | 324.72 | Joback Calculated Property |
| η | 0.0006018 | Pa×s | 351.08 | Joback Calculated Property |
| η | 0.0004962 | Pa×s | 377.44 | Joback Calculated Property |
| η | 0.0004195 | Pa×s | 403.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(1,1-Dimethylethyl)-3-methyloxirene.
Sources
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