- InChI
- InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16/h3-13H2,1-2H3
- InChI Key
- HVINKLZTQUQDJO-UHFFFAOYSA-N
- Formula
- C15H28O2
- SMILES
- CCCCCCCCCCCC(=O)CC(C)=O
- Molecular Weight1
- 240.38
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.7612 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 225.350 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [1766.00; 1766.00] |
|
|
| Inp | 1766.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Tboil | 565.62 | K | Relay (1.0) Calculated Property |
| Tc | 758.82 | K | Relay (1.0) Calculated Property |
| Tfus | 324.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.853 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.54; 771.23] | 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 | 3.97100e+00 | |||
| Coefficient B | 1.37284e+00 | |||
| Coefficient C | -7.54800e-04 | |||
| Coefficient D | 1.49220e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 325.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 401.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 470.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 531.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 585.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 633.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 675.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 712.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 744.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 771.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028213; 0.0002707] | Pa×s | [358.67; 578.06] |
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 | -1.20467e+01 | |||
| Coefficient B | 2.21522e+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. | 358.67 | |||
| Temperature range, max. | 578.06 | |||
| η | 0.0028213 | Pa×s | 358.67 | Calculated Property |
| η | 0.0019044 | Pa×s | 383.05 | Calculated Property |
| η | 0.0013474 | Pa×s | 407.42 | Calculated Property |
| η | 0.0009912 | Pa×s | 431.80 | Calculated Property |
| η | 0.0007536 | Pa×s | 456.18 | Calculated Property |
| η | 0.0005890 | Pa×s | 480.55 | Calculated Property |
| η | 0.0004715 | Pa×s | 504.93 | Calculated Property |
| η | 0.0003853 | Pa×s | 529.31 | Calculated Property |
| η | 0.0003204 | Pa×s | 553.68 | Calculated Property |
| η | 0.0002707 | Pa×s | 578.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentadecadione.
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