- InChI
- InChI=1S/C9H16O/c1-3-8-5-4-6-9(10)7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
- InChI Key
- CZXZZEIHDIVIEH-JGVFFNPUSA-N
- Formula
- C9H16O
- SMILES
- CCC1CCCC(=O)C1C
- Molecular Weight1
- 140.22
- CAS
- 78707-78-5
- 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).
- 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 | 0.3576 | Relay (... Calculated Property | |
| ΔfG° | -80.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.56 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -2.07 | Relay (... Calculated Property | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 128.380 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Tboil | 459.63 | K | Relay (... Calculated Property |
| Tc | 684.68 | K | Relay (... Calculated Property |
| Tfus | 279.87 | K | Relay (... Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.05; 390.13] | J/mol×K | [488.02; 704.74] | 
|
| Cp,gas | 292.05 | J/mol×K | 488.02 | Joback Calculated Property |
| Cp,gas | 310.41 | J/mol×K | 524.14 | Joback Calculated Property |
| Cp,gas | 327.98 | J/mol×K | 560.26 | Joback Calculated Property |
| Cp,gas | 344.74 | J/mol×K | 596.38 | Joback Calculated Property |
| Cp,gas | 360.70 | J/mol×K | 632.50 | Joback Calculated Property |
| Cp,gas | 375.83 | J/mol×K | 668.62 | Joback Calculated Property |
| Cp,gas | 390.13 | J/mol×K | 704.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-ethyl-2-methyl-, trans-.
Sources
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