- InChI
- InChI=1S/C12H20O2/c1-9(2)10(13)8-12(3)7-5-4-6-11(12)14/h9H,4-8H2,1-3H3
- InChI Key
- PAEODPXIMRWAHT-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(C)C(=O)CC1(C)CCCCC1=O
- Molecular Weight1
- 196.29
- Other Names
-
- 1-Cyclohexanone, 2-methyl-2-(3-methyl-2-oxabutyl)
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4547 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.751 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Inp | 1309.00 | NIST | |
| Tboil | 525.38 | K | Relay (1.0) Calculated Property |
| Tc | 738.55 | K | Relay (1.0) Calculated Property |
| Tfus | 328.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.30; 562.03] | J/mol×K | [615.00; 842.24] | 
|
| Cp,gas | 461.30 | J/mol×K | 615.00 | Joback Calculated Property |
| Cp,gas | 480.35 | J/mol×K | 652.87 | Joback Calculated Property |
| Cp,gas | 498.36 | J/mol×K | 690.75 | Joback Calculated Property |
| Cp,gas | 515.42 | J/mol×K | 728.62 | Joback Calculated Property |
| Cp,gas | 531.66 | J/mol×K | 766.49 | Joback Calculated Property |
| Cp,gas | 547.16 | J/mol×K | 804.37 | Joback Calculated Property |
| Cp,gas | 562.03 | J/mol×K | 842.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclohexanone, 2-methyl-2-(3-methyl-2-oxobutyl).
Sources
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