- InChI
- InChI=1S/C8H12O/c1-5-4-8(9)7(3)6(5)2/h5H,4H2,1-3H3
- InChI Key
- QJQNTXCURBPBOK-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CC1=C(C)C(C)CC1=O
- Molecular Weight1
- 124.18
- CAS
- 28790-86-5
- Other Names
-
- 2,3,4-Trimethyl-2-cyclopenten-1-one
- Cyclopent-2-ene-1-one, 2,3,4-trimethyl-
- 2,3,4-trimethylcyclopenten-1-one
- 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).
- 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.
- 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° | -58.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Inp | [1058.00; 1089.00] |
|
|
| Inp | 1089.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1089.00 | NIST | |
| I | [1539.00; 1539.00] |
|
|
| I | 1539.00 | NIST | |
| I | 1539.00 | NIST | |
| Tboil | 474.66 | K | Joback Calculated Property |
| Tc | 691.44 | K | Joback Calculated Property |
| Tfus | 284.84 | K | Joback Calculated Property |
| Vc | 0.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.98; 307.43] | J/mol×K | [474.66; 691.44] |
|
| Cp,gas | 232.98 | J/mol×K | 474.66 | Joback Calculated Property |
| Cp,gas | 246.74 | J/mol×K | 510.79 | Joback Calculated Property |
| Cp,gas | 259.97 | J/mol×K | 546.92 | Joback Calculated Property |
| Cp,gas | 272.67 | J/mol×K | 583.05 | Joback Calculated Property |
| Cp,gas | 284.81 | J/mol×K | 619.18 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 655.31 | Joback Calculated Property |
| Cp,gas | 307.43 | J/mol×K | 691.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 2,3,4-trimethyl-.
Sources
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