- InChI
- InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3+,7-6+,10-9+
- InChI Key
- NIPNNUONNZABRE-PDBXOOCHSA-N
- Formula
- C17H28O
- SMILES
- CC/C=C\C/C=C\C/C=C\CCCCCCC=O
- Molecular Weight1
- 248.41
- Other Names
-
- (8Z,11Z,14Z)-Heptadecatrienal
- 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 | 0.5867 | Relay (1.0) Calculated Property | |
| ΔfG° | 233.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.385 | Crippen Calculated Property | |
| McVol | 239.060 | ml/mol | McGowan Calculated Property |
| Pc | 1456.79 | kPa | Joback Calculated Property |
| Inp | [1852.00; 1874.00] |
|
|
| Inp | 1852.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Inp | 1874.00 | NIST | |
| Inp | 1852.00 | NIST | |
| Inp | 1874.00 | NIST | |
| Tboil | 565.28 | K | Relay (1.0) Calculated Property |
| Tc | 763.20 | K | Relay (1.0) Calculated Property |
| Tfus | 249.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.815 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.02; 795.41] | 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 | -4.37110e+01 | |||
| Coefficient B | 1.65332e+00 | |||
| Coefficient C | -1.14540e-03 | |||
| Coefficient D | 3.31200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 329.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 412.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 485.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 549.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 604.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 653.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 695.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 732.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 765.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 795.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031347; 0.0001418] | Pa×s | [308.11; 580.59] |
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 | -1.23619e+01 | |||
| Coefficient B | 2.03251e+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. | 308.11 | |||
| Temperature range, max. | 580.59 | |||
| η | 0.0031347 | Pa×s | 308.11 | Calculated Property |
| η | 0.0017373 | Pa×s | 338.39 | Calculated Property |
| η | 0.0010608 | Pa×s | 368.66 | Calculated Property |
| η | 0.0006981 | Pa×s | 398.94 | Calculated Property |
| η | 0.0004874 | Pa×s | 429.21 | Calculated Property |
| η | 0.0003567 | Pa×s | 459.49 | Calculated Property |
| η | 0.0002714 | Pa×s | 489.77 | Calculated Property |
| η | 0.0002131 | Pa×s | 520.04 | Calculated Property |
| η | 0.0001719 | Pa×s | 550.32 | Calculated Property |
| η | 0.0001418 | Pa×s | 580.59 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z,Z,Z)-8,11,14-Heptadecatrienal.
Sources
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