- 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
- 240.43
- CAS
- ---
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7674 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) 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 | 559.01 | K | Relay (1.0) Calculated Property |
| Tc | 748.54 | K | Relay (1.0) Calculated Property |
| Tfus | 314.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.83; 833.80] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.29700e+00 | |||
| Coefficient B | 1.49584e+00 | |||
| Coefficient C | -8.27900e-04 | |||
| Coefficient D | 1.70160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 345.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 428.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 569.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 629.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 681.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 727.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 768.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 803.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 833.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035270; 0.0002371] | Pa×s | [320.01; 550.57] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20946e+01 | |||
| Coefficient B | 2.06319e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 320.01 | |||
| Temperature range, max. | 550.57 | |||
| η | 0.0035270 | Pa×s | 320.01 | Calculated Property |
| η | 0.0021871 | Pa×s | 345.63 | Calculated Property |
| η | 0.0014487 | Pa×s | 371.25 | Calculated Property |
| η | 0.0010120 | Pa×s | 396.86 | Calculated Property |
| η | 0.0007384 | Pa×s | 422.48 | Calculated Property |
| η | 0.0005585 | Pa×s | 448.10 | Calculated Property |
| η | 0.0004354 | Pa×s | 473.72 | Calculated Property |
| η | 0.0003482 | Pa×s | 499.33 | Calculated Property |
| η | 0.0002846 | Pa×s | 524.95 | Calculated Property |
| η | 0.0002371 | Pa×s | 550.57 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [438.76; 616.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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