- InChI
- InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,14H,4,7-13H2,1H3/b3-2+,6-5-
- InChI Key
- XHXSPBYEQUMCKE-OHAITUNLSA-N
- Formula
- C14H24O
- SMILES
- CC=CCC=CCCCCCCCC=O
- Molecular Weight1
- 208.34
- 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.
- Ip : 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 | 0.5858 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.438 | Crippen Calculated Property | |
| McVol | 201.090 | ml/mol | McGowan Calculated Property |
| Pc | 1759.49 | kPa | Joback Calculated Property |
| Inp | [1582.00; 1582.00] |
|
|
| Inp | 1582.00 | NIST | |
| Inp | 1582.00 | NIST | |
| Ip | [2053.00; 2053.00] |
|
|
| Ip | 2053.00 | NIST | |
| Ip | 2053.00 | NIST | |
| Tboil | 546.35 | K | Relay (1.0) Calculated Property |
| Tc | 733.98 | K | Relay (1.0) Calculated Property |
| Tfus | 278.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.38; 671.22] | 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 | -2.68020e+01 | |||
| Coefficient B | 1.34832e+00 | |||
| Coefficient C | -8.98400e-04 | |||
| Coefficient D | 2.48100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 279.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 348.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 409.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 463.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 510.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 551.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 586.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 618.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 646.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 671.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040632; 0.0002045] | Pa×s | [279.38; 527.91] |
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 | -1.18548e+01 | |||
| Coefficient B | 1.77379e+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. | 279.38 | |||
| Temperature range, max. | 527.91 | |||
| η | 0.0040632 | Pa×s | 279.38 | Calculated Property |
| η | 0.0022953 | Pa×s | 306.99 | Calculated Property |
| η | 0.0014248 | Pa×s | 334.61 | Calculated Property |
| η | 0.0009511 | Pa×s | 362.22 | Calculated Property |
| η | 0.0006723 | Pa×s | 389.84 | Calculated Property |
| η | 0.0004976 | Pa×s | 417.45 | Calculated Property |
| η | 0.0003823 | Pa×s | 445.07 | Calculated Property |
| η | 0.0003029 | Pa×s | 472.68 | Calculated Property |
| η | 0.0002462 | Pa×s | 500.30 | Calculated Property |
| η | 0.0002045 | Pa×s | 527.91 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-9-(E)-12-Tetradecadienal.
Sources
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