- InChI
- InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
- InChI Key
- IITQJMYAYSNIMI-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- CC1=CC(=O)CCC1
- Molecular Weight1
- 110.15
- CAS
- 1193-18-6
- Other Names
-
- Seudenone
- 3-Methyl-2-cyclohexen-1-one
- 3-Methyl-2-cyclohexene-1-one
- Methylcyclohexenone
- MCH
- 3-Methyl-2-cyclohexenone
- 3-methyl-2-cyclohexenone-1
- 3-methylcyclohex-2-en-1-one
- 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).
- Inp : Non-polar retention indices.
- 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° | -62.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.686 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Inp | [1010.00; 1039.00] |
|
|
| Inp | 1039.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1026.00 | NIST | |
| I | [1577.00; 1592.00] |
|
|
| I | 1592.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1577.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1592.00 | NIST | |
| Tboil | [472.70; 474.20] | K |
|
| Tboil | 472.70 | K | NIST |
| Tboil | 474.20 | K | NIST |
| Tc | 683.63 | K | Joback Calculated Property |
| Tfus | 261.77 | K | Joback Calculated Property |
| Vc | 0.354 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.20; 261.40] | J/mol×K | [455.74; 683.63] |
|
| Cp,gas | 189.20 | J/mol×K | 455.74 | Joback Calculated Property |
| Cp,gas | 202.73 | J/mol×K | 493.72 | Joback Calculated Property |
| Cp,gas | 215.68 | J/mol×K | 531.70 | Joback Calculated Property |
| Cp,gas | 228.03 | J/mol×K | 569.68 | Joback Calculated Property |
| Cp,gas | 239.77 | J/mol×K | 607.66 | Joback Calculated Property |
| Cp,gas | 250.90 | J/mol×K | 645.65 | Joback Calculated Property |
| Cp,gas | 261.40 | J/mol×K | 683.63 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 362.50 ± 1.50 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 3-methyl-.
Sources
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