- InChI
- InChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(11)8-9/h9H,2-8H2,1H3
- InChI Key
- ORIINXCHZXECLA-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CCCCC1CCCC(=O)C1
- Molecular Weight1
- 154.25
- 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).
- Ip : 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 | 0.4531 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.936 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Ip | [1711.00; 1711.00] |
|
|
| Ip | 1711.00 | NIST | |
| Ip | 1711.00 | NIST | |
| Tboil | 501.22 | K | Relay (1.0) Calculated Property |
| Tc | 712.75 | K | Relay (1.0) Calculated Property |
| Tfus | 244.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.87; 519.44] | 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 | -3.53770e+01 | |||
| Coefficient B | 9.07620e-01 | |||
| Coefficient C | -3.57200e-04 | |||
| Coefficient D | 4.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 291.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 338.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 416.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 449.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 500.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 519.44 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-BUTYL-CYCLOHEXANONE.
Sources
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