- InChI
- InChI=1S/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2
- InChI Key
- LXJDKGYSHYYKFJ-UHFFFAOYSA-N
- Formula
- C16H30O
- SMILES
- O=C1CCCCCCCCCCCCCCC1
- Molecular Weight1
- 238.41
- CAS
- 2550-52-9
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -127.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.69 | Crippen Calculated Property | |
| logPoct/wat | 5.421 | Crippen Calculated Property | |
| McVol | 227.010 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Inp | [1731.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1731.00 | NIST | |
| I | [2392.00; 2392.00] |
|
|
| I | 2392.00 | NIST | |
| I | 2392.00 | NIST | |
| Tboil | 700.22 | K | Joback Calculated Property |
| Tc | 966.71 | K | Joback Calculated Property |
| Tfus | 314.72 | K | Joback Calculated Property |
| Vc | 0.792 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.22; 830.08] | J/mol×K | [700.22; 966.71] |
|
| Cp,gas | 686.22 | J/mol×K | 700.22 | Joback Calculated Property |
| Cp,gas | 717.55 | J/mol×K | 744.64 | Joback Calculated Property |
| Cp,gas | 746.07 | J/mol×K | 789.05 | Joback Calculated Property |
| Cp,gas | 771.69 | J/mol×K | 833.47 | Joback Calculated Property |
| Cp,gas | 794.30 | J/mol×K | 877.88 | Joback Calculated Property |
| Cp,gas | 813.80 | J/mol×K | 922.30 | Joback Calculated Property |
| Cp,gas | 830.08 | J/mol×K | 966.71 | Joback Calculated Property |
| ΔsubH | 82.00 ± 0.80 | kJ/mol | 333.00 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexadecanone.
Sources
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