- 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-
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.3666 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | NIST |
| log10WS | -0.09 | Relay (1.0) 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 | 456.72 | K | Relay (1.0) Calculated Property |
| Tc | 673.65 | K | Relay (1.0) Calculated Property |
| Tfus | 285.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) 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
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)
Find more compounds similar to 2-Methoxycyclohexanone.
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