- InChI
- InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,18H,2-5,8,11-17H2,1H3/b7-6-,10-9-
- InChI Key
- HXLZULGRVFOIDK-HZJYTTRNSA-N
- Formula
- C18H32O
- SMILES
- CCCCC/C=C\C/C=C\CCCCCCCC=O
- Molecular Weight1
- 264.45
- 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 | 0.7077 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.999 | Crippen Calculated Property | |
| McVol | 257.450 | ml/mol | McGowan Calculated Property |
| Pc | 1305.17 | kPa | Joback Calculated Property |
| Inp | [1970.00; 1971.00] |
|
|
| Inp | 1971.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Inp | 1971.00 | NIST | |
| Tboil | 578.82 | K | Relay (1.0) Calculated Property |
| Tc | 774.19 | K | Relay (1.0) Calculated Property |
| Tfus | 260.43 | 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 | [364.24; 877.58] | 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 | -3.04380e+01 | |||
| Coefficient B | 1.72832e+00 | |||
| Coefficient C | -1.11600e-03 | |||
| Coefficient D | 2.95700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 364.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 454.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 534.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 604.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 665.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 719.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 767.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 808.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 844.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 877.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030745; 0.0001562] | Pa×s | [324.46; 589.53] |
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 | -1.24123e+01 | |||
| Coefficient B | 2.15043e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 324.46 | |||
| Temperature range, max. | 589.53 | |||
| η | 0.0030745 | Pa×s | 324.46 | Calculated Property |
| η | 0.0017711 | Pa×s | 353.91 | Calculated Property |
| η | 0.0011105 | Pa×s | 383.36 | Calculated Property |
| η | 0.0007442 | Pa×s | 412.82 | Calculated Property |
| η | 0.0005261 | Pa×s | 442.27 | Calculated Property |
| η | 0.0003883 | Pa×s | 471.72 | Calculated Property |
| η | 0.0002971 | Pa×s | 501.17 | Calculated Property |
| η | 0.0002341 | Pa×s | 530.63 | Calculated Property |
| η | 0.0001892 | Pa×s | 560.08 | Calculated Property |
| η | 0.0001562 | Pa×s | 589.53 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z,Z)-9,12-Octadecadienal.
Sources
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