- InChI
- InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
- InChI Key
- ZSBWUNDRDHVNJL-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- CC1=CCCC1=O
- Molecular Weight1
- 96.13
- CAS
- 1120-73-6
- Other Names
-
- 2-Methyl-2-cyclopentenone
- 2-Methyl-2-cyclopenten-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° | -58.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.296 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Inp | [127.90; 925.00] |
|
|
| Inp | 910.00 | NIST | |
| Inp | 903.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 907.60 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 905.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 896.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | Outlier 127.90 | NIST | |
| Inp | 896.00 | NIST | |
| I | [1349.00; 1397.00] |
|
|
| I | 1357.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1353.00 | NIST | |
| I | 1354.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1357.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1386.00 | NIST | |
| I | Outlier 1397.00 | NIST | |
| I | Outlier 1397.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1366.00 | NIST | |
| I | Outlier 1397.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1354.00 | NIST | |
| Tboil | [430.20; 432.70] | K |
|
| Tboil | 432.70 | K | NIST |
| Tboil | 430.20 | K | NIST |
| Tc | 650.56 | K | Joback Calculated Property |
| Tfus | 254.02 | K | Joback Calculated Property |
| Vc | 0.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.47; 211.11] | J/mol×K | [428.59; 650.56] |
|
| Cp,gas | 151.47 | J/mol×K | 428.59 | Joback Calculated Property |
| Cp,gas | 162.58 | J/mol×K | 465.59 | Joback Calculated Property |
| Cp,gas | 173.22 | J/mol×K | 502.58 | Joback Calculated Property |
| Cp,gas | 183.40 | J/mol×K | 539.58 | Joback Calculated Property |
| Cp,gas | 193.10 | J/mol×K | 576.57 | Joback Calculated Property |
| Cp,gas | 202.34 | J/mol×K | 613.57 | Joback Calculated Property |
| Cp,gas | 211.11 | J/mol×K | 650.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 2-methyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.