- InChI
- InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h7H,2-6H2,1H3
- InChI Key
- IEVRHAUJJJBXFH-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- CCC1CCCC(=O)C1
- Molecular Weight1
- 126.20
- Other Names
-
- 3-Ethylcyclohexanone
- 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 | 0.3651 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 114.290 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Tboil | 467.08 ± 0.50 | K | NIST |
| Tc | 677.91 | K | Relay (1.0) Calculated Property |
| Tfus | 210.88 ± 0.20 | K | NIST |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.44; 416.26] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.35590e+01 | |||
| Coefficient B | 7.17620e-01 | |||
| Coefficient C | -2.48400e-04 | |||
| Coefficient D | -1.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 229.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 267.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 301.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 359.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 416.26 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-ethyl-.
Sources
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