- InChI
- InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3
- InChI Key
- RQXTZKGDMNIWJF-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CCC(C)C1CCCCC1=O
- Molecular Weight1
- 154.25
- CAS
- 14765-30-1
- Other Names
-
- Cyclohexanone, sec.-butyl, # 2
- Cyclohexanone, sec-butyl, # 2
- Cyclohexanone, sec-butyl, # 1
- 2-sec-butylcyclohexan-1-one
- 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.
- I : 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 | 0.3936 | Relay (... Calculated Property | |
| ΔfG° | -67.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -2.63 | Relay (... Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | [1194.00; 1196.00] |
|
|
| Inp | 1194.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1194.00 | NIST | |
| I | [1564.00; 1566.00] |
|
|
| I | 1564.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1564.00 | NIST | |
| Tboil | 483.99 | K | Relay (... Calculated Property |
| Tc | 711.40 | K | Relay (... Calculated Property |
| Tfus | 263.62 | K | Relay (... Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.43; 440.66] | J/mol×K | [515.13; 733.50] |
|
| Cp,gas | 338.43 | J/mol×K | 515.13 | Joback Calculated Property |
| Cp,gas | 357.81 | J/mol×K | 551.52 | Joback Calculated Property |
| Cp,gas | 376.25 | J/mol×K | 587.92 | Joback Calculated Property |
| Cp,gas | 393.75 | J/mol×K | 624.31 | Joback Calculated Property |
| Cp,gas | 410.32 | J/mol×K | 660.71 | Joback Calculated Property |
| Cp,gas | 425.96 | J/mol×K | 697.10 | Joback Calculated Property |
| Cp,gas | 440.66 | J/mol×K | 733.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, sec.-butyl, # 1.
Sources
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