- InChI
- InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
- InChI Key
- JYJURPHZXCLFDX-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- COC1CCCCC1=O
- Molecular Weight1
- 128.17
- CAS
- 7429-44-9
- Other Names
-
- Cyclohexanone, 2-methoxy-
- 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).
- 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).
- 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° | -195.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.26 | kJ/mol | Joback Calculated Property |
| IE | 9.06 | eV | NIST |
| log10WS | -1.13 | Crippen Calculated Property | |
| logPoct/wat | 1.144 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Tboil | 469.35 | K | Joback Calculated Property |
| Tc | 691.07 | K | Joback Calculated Property |
| Tfus | 266.48 | K | Joback Calculated Property |
| Vc | 0.386 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.23; 311.39] | J/mol×K | [469.35; 691.07] | 
|
| Cp,gas | 228.23 | J/mol×K | 469.35 | Joback Calculated Property |
| Cp,gas | 243.63 | J/mol×K | 506.30 | Joback Calculated Property |
| Cp,gas | 258.46 | J/mol×K | 543.26 | Joback Calculated Property |
| Cp,gas | 272.67 | J/mol×K | 580.21 | Joback Calculated Property |
| Cp,gas | 286.25 | J/mol×K | 617.16 | Joback Calculated Property |
| Cp,gas | 299.17 | J/mol×K | 654.12 | Joback Calculated Property |
| Cp,gas | 311.39 | J/mol×K | 691.07 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 458.20 | K | 100.00 | NIST |
Similar Compounds
![5-Methyl-2-octyl-[2 H]-furan-3-one.](data:image/png;base64,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)
Find more compounds similar to 2-Methoxycyclohexanone.
Sources
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