- InChI
- InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-14H,2-7H2,1H3/b9-8+,11-10+,13-12+
- InChI Key
- MHJQZJXVYHMAAZ-GTEMLCSVSA-N
- Formula
- C14H22O
- SMILES
- CCCCCCCC=CC=CC=CC=O
- Molecular Weight1
- 206.32
- 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 | 0.5521 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 196.790 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [1806.00; 1806.00] |
|
|
| Inp | 1806.00 | NIST | |
| Inp | 1806.00 | NIST | |
| Tboil | 534.72 | K | Relay (1.0) Calculated Property |
| Tc | 734.58 | K | Relay (1.0) Calculated Property |
| Tfus | 335.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.38; 640.64] | 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 | -4.09840e+01 | |||
| Coefficient B | 1.36832e+00 | |||
| Coefficient C | -9.82200e-04 | |||
| Coefficient D | 2.95500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 265.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 333.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 392.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 443.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 488.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 526.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 560.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 616.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 640.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038084; 0.0001694] | Pa×s | [274.30; 535.64] |
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 | -1.19505e+01 | |||
| Coefficient B | 1.75003e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 274.30 | |||
| Temperature range, max. | 535.64 | |||
| η | 0.0038084 | Pa×s | 274.30 | Calculated Property |
| η | 0.0020678 | Pa×s | 303.34 | Calculated Property |
| η | 0.0012491 | Pa×s | 332.38 | Calculated Property |
| η | 0.0008182 | Pa×s | 361.41 | Calculated Property |
| η | 0.0005708 | Pa×s | 390.45 | Calculated Property |
| η | 0.0004185 | Pa×s | 419.49 | Calculated Property |
| η | 0.0003195 | Pa×s | 448.53 | Calculated Property |
| η | 0.0002520 | Pa×s | 477.57 | Calculated Property |
| η | 0.0002043 | Pa×s | 506.61 | Calculated Property |
| η | 0.0001694 | Pa×s | 535.64 | Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,E)-2,4,6-tetradecatrienal.
Sources
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