- InChI
- InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
- InChI Key
- OEKATORRSPXJHE-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CC(=O)C1CCCCC1=O
- Molecular Weight1
- 140.18
- CAS
- 874-23-7
- Other Names
-
- «alpha»-Acetylcyclohexanone
- 2-Acetylcyclohexanone
- Acetylcyclohexanone
- 2-Acetyl-1-cyclohexanone
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -210.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.38 | Crippen Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| I | [1977.00; 1977.00] |
|
|
| I | 1977.00 | NIST | |
| I | 1977.00 | NIST | |
| Tboil | 523.68 | K | Joback Calculated Property |
| Tc | 754.10 | K | Joback Calculated Property |
| Tfus | 305.45 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.86; 351.02] | J/mol×K | [523.68; 754.10] |
|
| Cp,gas | 267.86 | J/mol×K | 523.68 | Joback Calculated Property |
| Cp,gas | 283.80 | J/mol×K | 562.08 | Joback Calculated Property |
| Cp,gas | 298.92 | J/mol×K | 600.49 | Joback Calculated Property |
| Cp,gas | 313.22 | J/mol×K | 638.89 | Joback Calculated Property |
| Cp,gas | 326.67 | J/mol×K | 677.29 | Joback Calculated Property |
| Cp,gas | 339.27 | J/mol×K | 715.69 | Joback Calculated Property |
| Cp,gas | 351.02 | J/mol×K | 754.10 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [368.00; 389.00] | K | [1.30; 2.70] |
|
| Tboilr | 368.00 ± 1.00 | K | 1.30 | NIST |
| Tboilr | 384.70 | K | 2.40 | NIST |
| Tboilr | 384.00 | K | 2.40 | NIST |
| Tboilr | 389.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2-acetyl-.
Sources
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