- InChI
- InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h3-15H2,1-2H3
- InChI Key
- JWIKKFZLSSZWRK-UHFFFAOYSA-N
- Formula
- C16H32O
- SMILES
- CCCCCCCCCCCCC(=O)CCC
- Molecular Weight1
- 240.42
- CAS
- 18787-65-0
- 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).
- 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).
- 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 |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [438.76; 616.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48723e+01 | |||
| Coefficient B | -4.92228e+03 | |||
| Coefficient C | -1.01264e+02 | |||
| Temperature range, min. | 438.76 | |||
| Temperature range, max. | 616.10 | |||
| Pvap | 1.33 | kPa | 438.76 | Calculated Property |
| Pvap | 2.98 | kPa | 458.46 | Calculated Property |
| Pvap | 6.13 | kPa | 478.17 | Calculated Property |
| Pvap | 11.72 | kPa | 497.87 | Calculated Property |
| Pvap | 21.09 | kPa | 517.58 | Calculated Property |
| Pvap | 35.99 | kPa | 537.28 | Calculated Property |
| Pvap | 58.63 | kPa | 556.99 | Calculated Property |
| Pvap | 91.74 | kPa | 576.69 | Calculated Property |
| Pvap | 138.51 | kPa | 596.40 | Calculated Property |
| Pvap | 202.64 | kPa | 616.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexadecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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