- InChI
- InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3
- InChI Key
- VZRNDOSIHXJXCH-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCCCCCCCCC(=O)CC(C)=O
- Molecular Weight1
- 268.44
- Other Names
-
- 2,4-Heptadecadione
- 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 | 0.8319 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [1874.00; 1874.00] |
|
|
| Inp | 1874.00 | NIST | |
| Inp | 1874.00 | NIST | |
| Tboil | 582.48 | K | Relay (1.0) Calculated Property |
| Tc | 778.35 | K | Relay (1.0) Calculated Property |
| Tfus | 331.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.964 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.97; 874.41] | 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 | 2.15300e+00 | |||
| Coefficient B | 1.56284e+00 | |||
| Coefficient C | -8.63600e-04 | |||
| Coefficient D | 1.73020e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 454.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 532.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 601.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 663.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 718.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 765.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 807.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 843.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 874.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024071; 0.0002264] | Pa×s | [381.21; 609.85] |
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 | -1.23344e+01 | |||
| Coefficient B | 2.40354e+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. | 381.21 | |||
| Temperature range, max. | 609.85 | |||
| η | 0.0024071 | Pa×s | 381.21 | Calculated Property |
| η | 0.0016233 | Pa×s | 406.61 | Calculated Property |
| η | 0.0011467 | Pa×s | 432.02 | Calculated Property |
| η | 0.0008419 | Pa×s | 457.42 | Calculated Property |
| η | 0.0006385 | Pa×s | 482.83 | Calculated Property |
| η | 0.0004979 | Pa×s | 508.23 | Calculated Property |
| η | 0.0003975 | Pa×s | 533.64 | Calculated Property |
| η | 0.0003239 | Pa×s | 559.04 | Calculated Property |
| η | 0.0002687 | Pa×s | 584.45 | Calculated Property |
| η | 0.0002264 | Pa×s | 609.85 | Calculated Property |
Similar Compounds
Find more compounds similar to HEPTADECANE-2,4-DIONE.
Sources
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