- InChI
- InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
- InChI Key
- XCXKZBWAKKPFCJ-UHFFFAOYSA-N
- Formula
- C16H32O
- SMILES
- CCCCCCCCCCCCCCC(C)=O
- Molecular Weight1
- 240.42
- CAS
- 18787-63-8
- Other Names
-
- Hexadecan-2-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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° | -45.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.80 | Crippen Calculated Property | |
| logPoct/wat | 5.667 | Crippen Calculated Property | |
| McVol | 237.870 | ml/mol | McGowan Calculated Property |
| Pc | 1380.93 | kPa | Joback Calculated Property |
| Inp | [301.06; 1809.00] |
|
|
| Inp | 1791.60 | NIST | |
| Inp | 1780.60 | NIST | |
| Inp | 1767.90 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Inp | 1781.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Inp | 1787.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1781.00 | NIST | |
| Inp | 1791.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1783.00 | NIST | |
| Inp | 1804.00 | NIST | |
| Inp | Outlier 301.06 | NIST | |
| Inp | 1781.00 | NIST | |
| I | [2092.00; 2150.00] |
|
|
| I | 2130.00 | NIST | |
| I | 2112.00 | NIST | |
| I | 2092.00 | NIST | |
| I | 2150.00 | NIST | |
| Tboil | 619.35 | K | Joback Calculated Property |
| Tc | 786.27 | K | Joback Calculated Property |
| Tfus | 320.01 | K | Joback Calculated Property |
| Vc | 0.938 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.00; 742.73] | J/mol×K | [619.35; 786.27] |
|
| Cp,gas | 645.00 | J/mol×K | 619.35 | Joback Calculated Property |
| Cp,gas | 663.14 | J/mol×K | 647.17 | Joback Calculated Property |
| Cp,gas | 680.51 | J/mol×K | 674.99 | Joback Calculated Property |
| Cp,gas | 697.13 | J/mol×K | 702.81 | Joback Calculated Property |
| Cp,gas | 713.03 | J/mol×K | 730.63 | Joback Calculated Property |
| Cp,gas | 728.22 | J/mol×K | 758.45 | Joback Calculated Property |
| Cp,gas | 742.73 | J/mol×K | 786.27 | Joback Calculated Property |
| η | [0.0001564; 0.0035270] | Pa×s | [320.01; 619.35] |
|
| η | 0.0035270 | Pa×s | 320.01 | Joback Calculated Property |
| η | 0.0014783 | Pa×s | 369.90 | Joback Calculated Property |
| η | 0.0007619 | Pa×s | 419.79 | Joback Calculated Property |
| η | 0.0004520 | Pa×s | 469.68 | Joback Calculated Property |
| η | 0.0002965 | Pa×s | 519.57 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 569.46 | Joback Calculated Property |
| η | 0.0001564 | Pa×s | 619.35 | Joback Calculated Property |
| ΔvapH | 72.30 | kJ/mol | 481.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [441.62; 615.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51347e+01 | |||
| Coefficient B | -5.03598e+03 | |||
| Coefficient C | -1.02432e+02 | |||
| Temperature range, min. | 441.62 | |||
| Temperature range, max. | 615.09 | |||
| Pvap | 1.33 | kPa | 441.62 | Calculated Property |
| Pvap | 2.96 | kPa | 460.89 | Calculated Property |
| Pvap | 6.07 | kPa | 480.17 | Calculated Property |
| Pvap | 11.59 | kPa | 499.44 | Calculated Property |
| Pvap | 20.85 | kPa | 518.72 | Calculated Property |
| Pvap | 35.61 | kPa | 537.99 | Calculated Property |
| Pvap | 58.13 | kPa | 557.27 | Calculated Property |
| Pvap | 91.17 | kPa | 576.54 | Calculated Property |
| Pvap | 138.06 | kPa | 595.82 | Calculated Property |
| Pvap | 202.65 | kPa | 615.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexadecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.