- InChI
- InChI=1S/C9H16O/c1-7(2)8-4-3-5-9(10)6-8/h7-8H,3-6H2,1-2H3
- InChI Key
- AFFBXUKVORMWSC-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CC(C)C1CCCC(=O)C1
- Molecular Weight1
- 140.22
- Other Names
-
- 3-Isopropylcyclohexanone
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -75.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 128.380 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Inp | [1172.00; 1172.00] |
|
|
| Inp | 1172.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Tboil | 492.25 | K | Joback Calculated Property |
| Tc | 714.29 | K | Joback Calculated Property |
| Tfus | 251.79 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.68; 389.49] | J/mol×K | [492.25; 714.29] |
|
| Cp,gas | 291.68 | J/mol×K | 492.25 | Joback Calculated Property |
| Cp,gas | 310.17 | J/mol×K | 529.26 | Joback Calculated Property |
| Cp,gas | 327.79 | J/mol×K | 566.26 | Joback Calculated Property |
| Cp,gas | 344.53 | J/mol×K | 603.27 | Joback Calculated Property |
| Cp,gas | 360.40 | J/mol×K | 640.28 | Joback Calculated Property |
| Cp,gas | 375.38 | J/mol×K | 677.29 | Joback Calculated Property |
| Cp,gas | 389.49 | J/mol×K | 714.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-(1-methylethyl).
Sources
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