- InChI
- InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
- InChI Key
- LFSAPCRASZRSKS-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CC1CCCCC1=O
- Molecular Weight1
- 112.17
- CAS
- 583-60-8
- Other Names
-
- 2-Methyl-1-cyclohexanone
- 2-Methyl-cyclohexanon
- 2-Methylcyclohexanone
- 2-Metilcicloesanone
- o-Methylcyclohexanone
- «alpha»-Methylcyclohexanone
- «alpha»-Methylcyclohexanone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| EA | 0.00 ± 0.00 | eV | NIST |
| ΔfG° | -90.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.00 | kJ/mol | NIST |
| IE | [9.05; 9.50] | eV |
|
| IE | 9.05 | eV | NIST |
| IE | 9.50 ± 0.20 | eV | NIST |
| log10WS | -0.94 | Aq. Sol... | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | [914.00; 954.00] |
|
|
| Inp | 935.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 953.10 | NIST | |
| Inp | 930.00 | NIST | |
| Tboil | [373.40; 439.00] | K |
|
| Tboil | 391.65 ± 0.25 | K | NIST |
| Tboil | 435.70 | K | NIST |
| Tboil | 438.20 ± 0.50 | K | NIST |
| Tboil | 373.40 ± 0.80 | K | NIST |
| Tboil | 439.00 ± 6.00 | K | NIST |
| Tc | 670.65 | K | Joback Calculated Property |
| Tfus | [256.00; 264.00] | K |
|
| Tfus | 264.00 ± 2.00 | K | NIST |
| Tfus | 259.25 ± 0.40 | K | NIST |
| Tfus | 256.00 ± 6.00 | K | NIST |
| Vc | 0.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.07; 288.21] | J/mol×K | [446.93; 670.65] |
|
| Cp,gas | 204.07 | J/mol×K | 446.93 | Joback Calculated Property |
| Cp,gas | 219.79 | J/mol×K | 484.22 | Joback Calculated Property |
| Cp,gas | 234.85 | J/mol×K | 521.50 | Joback Calculated Property |
| Cp,gas | 249.23 | J/mol×K | 558.79 | Joback Calculated Property |
| Cp,gas | 262.92 | J/mol×K | 596.07 | Joback Calculated Property |
| Cp,gas | 275.92 | J/mol×K | 633.36 | Joback Calculated Property |
| Cp,gas | 288.21 | J/mol×K | 670.65 | Joback Calculated Property |
| Cp,liquid | 204.60 | J/mol×K | 290.00 | NIST |
| ΔvapH | 45.00 | kJ/mol | 384.00 | NIST |
| Pvap | [3.33; 99.71] | kPa | [338.76; 436.94] |
|
| Pvap | 3.33 | kPa | 338.76 | Vapor P... |
| Pvap | 3.91 | kPa | 342.20 | Vapor P... |
| Pvap | 5.27 | kPa | 348.85 | Vapor P... |
| Pvap | 5.76 | kPa | 350.96 | Vapor P... |
| Pvap | 6.40 | kPa | 353.34 | Vapor P... |
| Pvap | 7.13 | kPa | 355.93 | Vapor P... |
| Pvap | 7.94 | kPa | 358.53 | Vapor P... |
| Pvap | 8.68 | kPa | 360.73 | Vapor P... |
| Pvap | 9.54 | kPa | 363.09 | Vapor P... |
| Pvap | 10.98 | kPa | 366.66 | Vapor P... |
| Pvap | 12.30 | kPa | 369.65 | Vapor P... |
| Pvap | 13.79 | kPa | 372.70 | Vapor P... |
| Pvap | 15.79 | kPa | 376.36 | Vapor P... |
| Pvap | 19.12 | kPa | 381.72 | Vapor P... |
| Pvap | 21.37 | kPa | 384.91 | Vapor P... |
| Pvap | 24.90 | kPa | 389.42 | Vapor P... |
| Pvap | 29.53 | kPa | 394.59 | Vapor P... |
| Pvap | 33.29 | kPa | 398.32 | Vapor P... |
| Pvap | 35.05 | kPa | 399.98 | Vapor P... |
| Pvap | 45.03 | kPa | 408.17 | Vapor P... |
| Pvap | 49.98 | kPa | 411.64 | Vapor P... |
| Pvap | 53.52 | kPa | 414.00 | Vapor P... |
| Pvap | 60.46 | kPa | 418.28 | Vapor P... |
| Pvap | 99.71 | kPa | 436.94 | Vapor P... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 202.64] | kPa | [285.48; 467.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42147e+01 | |||
| Coefficient B | -3.60437e+03 | |||
| Coefficient C | -6.25530e+01 | |||
| Temperature range, min. | 285.48 | |||
| Temperature range, max. | 467.39 | |||
| Pvap | 0.14 | kPa | 285.48 | Calculated Property |
| Pvap | 0.54 | kPa | 305.69 | Calculated Property |
| Pvap | 1.70 | kPa | 325.90 | Calculated Property |
| Pvap | 4.50 | kPa | 346.12 | Calculated Property |
| Pvap | 10.48 | kPa | 366.33 | Calculated Property |
| Pvap | 21.97 | kPa | 386.54 | Calculated Property |
| Pvap | 42.22 | kPa | 406.75 | Calculated Property |
| Pvap | 75.47 | kPa | 426.97 | Calculated Property |
| Pvap | 126.92 | kPa | 447.18 | Calculated Property |
| Pvap | 202.64 | kPa | 467.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2-methyl-.
Sources
- Crippen Method
- Vapor Pressures of Hexanal, 2-Methylcyclohexanone, and 2-Cyclohexen-1-one
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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