- InChI
- InChI=1S/C10H14O/c1-7-5-9(11)6-10(3,4)8(7)2/h5H,2,6H2,1,3-4H3
- InChI Key
- MCGQFKNFKWPWAA-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- C=C1C(C)=CC(=O)CC1(C)C
- Molecular Weight1
- 150.22
- CAS
- 20548-00-9
- Other Names
-
- 3,5,5-Trimethyl-4-methylene-cyclohex-2-enone
- 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).
- 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 | 0.3225 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1224.50 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Tboil | 488.48 | K | Relay (1.0) Calculated Property |
| Tc | 692.91 | K | Relay (1.0) Calculated Property |
| Tfus | 346.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.453 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.70; 385.95] | J/mol×K | [519.11; 747.29] |
|
| Cp,gas | 302.70 | J/mol×K | 519.11 | Joback Calculated Property |
| Cp,gas | 318.43 | J/mol×K | 557.14 | Joback Calculated Property |
| Cp,gas | 333.31 | J/mol×K | 595.17 | Joback Calculated Property |
| Cp,gas | 347.42 | J/mol×K | 633.20 | Joback Calculated Property |
| Cp,gas | 360.84 | J/mol×K | 671.23 | Joback Calculated Property |
| Cp,gas | 373.66 | J/mol×K | 709.26 | Joback Calculated Property |
| Cp,gas | 385.95 | J/mol×K | 747.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene.
Sources
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