- InChI
- InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5-
- InChI Key
- BIDIHFPLDRSAMB-WAYWQWQTSA-N
- Formula
- C7H14
- SMILES
- CC=CC(C)(C)C
- Molecular Weight1
- 98.19
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.2306 | Relay (... Calculated Property | |
| ΔfG° | 91.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 6.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.95 | eV | Relay (... Calculated Property |
| log10WS | -3.44 | Relay (... Calculated Property | |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [638.00; 638.00] |
|
|
| Inp | 638.00 | NIST | |
| Inp | 638.00 | NIST | |
| Tboil | 343.64 | K | Relay (... Calculated Property |
| Tc | 504.03 | K | Relay (... Calculated Property |
| Tfus | 169.15 | K | Relay (... Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.91; 250.78] | J/mol×K | [360.49; 544.64] |
|
| Cp,gas | 180.91 | J/mol×K | 360.49 | Joback Calculated Property |
| Cp,gas | 194.27 | J/mol×K | 391.18 | Joback Calculated Property |
| Cp,gas | 206.90 | J/mol×K | 421.87 | Joback Calculated Property |
| Cp,gas | 218.84 | J/mol×K | 452.57 | Joback Calculated Property |
| Cp,gas | 230.11 | J/mol×K | 483.26 | Joback Calculated Property |
| Cp,gas | 240.74 | J/mol×K | 513.95 | Joback Calculated Property |
| Cp,gas | 250.78 | J/mol×K | 544.64 | Joback Calculated Property |
| η | [0.0002301; 0.0108776] | Pa×s | [165.99; 360.49] |
|
| η | 0.0108776 | Pa×s | 165.99 | Joback Calculated Property |
| η | 0.0033838 | Pa×s | 198.41 | Joback Calculated Property |
| η | 0.0014612 | Pa×s | 230.82 | Joback Calculated Property |
| η | 0.0007760 | Pa×s | 263.24 | Joback Calculated Property |
| η | 0.0004734 | Pa×s | 295.66 | Joback Calculated Property |
| η | 0.0003185 | Pa×s | 328.07 | Joback Calculated Property |
| η | 0.0002301 | Pa×s | 360.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-1,1,1-Trimethyl-2-butene.
Sources
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