- InChI
- InChI=1S/C8H12O/c1-6-4-7(9)5-8(6,2)3/h4H,5H2,1-3H3
- InChI Key
- BDINBSUUIUWFNH-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CC1=CC(=O)CC1(C)C
- Molecular Weight1
- 124.18
- CAS
- 30434-65-2
- Other Names
-
- 3,4,4-trimethyl-2-cyclopenten-1-one
- 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 | 0.3150 | Relay (... Calculated Property | |
| ΔfG° | -54.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 4.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.39 | kJ/mol | Relay (... Calculated Property |
| IE | 9.41 | eV | Relay (... Calculated Property |
| log10WS | -1.34 | Relay (... Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | 1064.00 | NIST | |
| Tboil | 455.10 | K | Relay (... Calculated Property |
| Tc | 656.00 | K | Relay (... Calculated Property |
| Tfus | 302.38 | K | Relay (... Calculated Property |
| Vc | 0.380 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.07; 307.19] | J/mol×K | [469.92; 695.04] | 
|
| Cp,gas | 233.07 | J/mol×K | 469.92 | Joback Calculated Property |
| Cp,gas | 247.29 | J/mol×K | 507.44 | Joback Calculated Property |
| Cp,gas | 260.65 | J/mol×K | 544.96 | Joback Calculated Property |
| Cp,gas | 273.23 | J/mol×K | 582.48 | Joback Calculated Property |
| Cp,gas | 285.12 | J/mol×K | 620.00 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 657.52 | Joback Calculated Property |
| Cp,gas | 307.19 | J/mol×K | 695.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 3,4,4-trimethyl-.
Sources
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