- InChI
- InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
- InChI Key
- VGVHNLRUAMRIEW-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CC1CCC(=O)CC1
- Molecular Weight1
- 112.17
- CAS
- 589-92-4
- Other Names
-
- 4-Methylcyclohexanone
- p-Methyl cyclohexanone
- 4-Methyl-1-cyclohexanone
- Methyl-4 cyclohexanone-1
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 844.90 | kJ/mol | NIST |
| BasG | 813.00 | kJ/mol | NIST |
| EA | 0.01 ± 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° | 35.85 | kJ/mol | Joback Calculated Property |
| IE | 9.16 | eV | NIST |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | [918.00; 968.00] |
|
|
| Inp | 943.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 937.00 | NIST | |
| I | [1339.00; 1376.00] |
|
|
| I | 1342.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1339.00 | NIST | |
| I | 1376.00 | NIST | |
| Tboil | [373.50; 444.60] | K |
|
| Tboil | 443.20 | K | NIST |
| Tboil | 444.60 ± 0.60 | K | NIST |
| Tboil | 373.50 ± 1.00 | K | NIST |
| Tc | 670.65 | K | Joback Calculated Property |
| Tfus | [232.00; 232.55] | K |
|
| Tfus | 232.55 ± 0.50 | K | NIST |
| Tfus | 232.00 ± 5.00 | K | NIST |
| Vc | 0.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.20; 227.80] | J/mol×K | [445.00; 500.00] |
|
| Cp,gas | 206.20 ± 0.80 | J/mol×K | 445.00 | NIST |
| Cp,gas | 211.30 ± 1.20 | J/mol×K | 450.00 | NIST |
| Cp,gas | 215.70 ± 1.60 | J/mol×K | 460.00 | NIST |
| Cp,gas | 218.80 ± 1.60 | J/mol×K | 470.00 | NIST |
| Cp,gas | 221.80 ± 1.80 | J/mol×K | 480.00 | NIST |
| Cp,gas | 224.80 ± 2.00 | J/mol×K | 490.00 | NIST |
| Cp,gas | 227.80 ± 2.50 | J/mol×K | 500.00 | NIST |
| Cp,liquid | 207.10 | J/mol×K | 290.00 | NIST |
| ΔvapH | 45.30 | kJ/mol | 391.50 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanone, 4-methyl-.
Sources
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