- InChI
- InChI=1S/C7H14O/c1-6(2)5-7(3)8-4/h5-6H,1-4H3/b7-5+
- InChI Key
- VUVRRRJAGXVQQZ-FNORWQNLSA-N
- Formula
- C7H14O
- SMILES
- COC(C)=CC(C)C
- Molecular Weight1
- 114.19
- CAS
- 53119-72-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.3292 | Relay (... Calculated Property | |
| ΔfG° | -27.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.80 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -2.52 | Relay (... Calculated Property | |
| logPoct/wat | 2.193 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Tboil | 371.71 | K | Relay (... Calculated Property |
| Tc | 543.78 | K | Relay (... Calculated Property |
| Tfus | 192.74 | K | Relay (... Calculated Property |
| Vc | 0.405 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.89; 268.46] | J/mol×K | [385.58; 566.06] | 
|
| Cp,gas | 203.89 | J/mol×K | 385.58 | Joback Calculated Property |
| Cp,gas | 215.76 | J/mol×K | 415.66 | Joback Calculated Property |
| Cp,gas | 227.17 | J/mol×K | 445.74 | Joback Calculated Property |
| Cp,gas | 238.14 | J/mol×K | 475.82 | Joback Calculated Property |
| Cp,gas | 248.67 | J/mol×K | 505.90 | Joback Calculated Property |
| Cp,gas | 258.77 | J/mol×K | 535.98 | Joback Calculated Property |
| Cp,gas | 268.46 | J/mol×K | 566.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Methyoxy-4-methyl-2-pentene.
Sources
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