- InChI
- InChI=1S/C10H16O/c1-2-3-4-9-5-7-10(11)8-6-9/h5H,2-4,6-8H2,1H3
- InChI Key
- IDKGUPRQRXCLKC-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CCCCC1=CCC(=O)CC1
- Molecular Weight1
- 152.23
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -36.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.856 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| I | [1717.00; 1717.00] |
|
|
| I | 1717.00 | NIST | |
| I | 1717.00 | NIST | |
| Tboil | 524.38 | K | Joback Calculated Property |
| Tc | 741.30 | K | Joback Calculated Property |
| Tfus | 295.58 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.22; 409.55] | J/mol×K | [524.38; 741.30] |
|
| Cp,gas | 320.22 | J/mol×K | 524.38 | Joback Calculated Property |
| Cp,gas | 337.15 | J/mol×K | 560.53 | Joback Calculated Property |
| Cp,gas | 353.25 | J/mol×K | 596.69 | Joback Calculated Property |
| Cp,gas | 368.54 | J/mol×K | 632.84 | Joback Calculated Property |
| Cp,gas | 383.01 | J/mol×K | 668.99 | Joback Calculated Property |
| Cp,gas | 396.68 | J/mol×K | 705.15 | Joback Calculated Property |
| Cp,gas | 409.55 | J/mol×K | 741.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butyl-cyclohexen-3-one.
Sources
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