- InChI
- InChI=1S/C14H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h4-5,7-8,10-11H,3,6,9,12-13H2,1-2H3/b5-4+,8-7-,11-10-
- InChI Key
- IVCSDEBPVQZWOF-IISVKSLHSA-N
- Formula
- C14H22O
- SMILES
- CCC=CCC=CCC=CCCC(C)=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).
- I : 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 | 0.4319 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 196.790 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| I | [2011.00; 2011.00] |
|
|
| I | 2011.00 | NIST | |
| I | 2011.00 | NIST | |
| Tboil | 537.46 | K | Relay (1.0) Calculated Property |
| Tc | 715.01 | K | Relay (1.0) Calculated Property |
| Tfus | 270.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.39; 638.88] | 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 | -4.50250e+01 | |||
| Coefficient B | 1.36584e+00 | |||
| Coefficient C | -9.70500e-04 | |||
| Coefficient D | 2.88560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 261.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 329.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 388.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 440.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 485.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 524.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 587.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 614.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 638.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032895; 0.0001537] | Pa×s | [282.23; 542.07] |
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 | -1.21075e+01 | |||
| Coefficient B | 1.80359e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 282.23 | |||
| Temperature range, max. | 542.07 | |||
| η | 0.0032895 | Pa×s | 282.23 | Calculated Property |
| η | 0.0018179 | Pa×s | 311.10 | Calculated Property |
| η | 0.0011111 | Pa×s | 339.97 | Calculated Property |
| η | 0.0007335 | Pa×s | 368.84 | Calculated Property |
| η | 0.0005143 | Pa×s | 397.72 | Calculated Property |
| η | 0.0003784 | Pa×s | 426.59 | Calculated Property |
| η | 0.0002894 | Pa×s | 455.46 | Calculated Property |
| η | 0.0002286 | Pa×s | 484.33 | Calculated Property |
| η | 0.0001854 | Pa×s | 513.20 | Calculated Property |
| η | 0.0001537 | Pa×s | 542.07 | Calculated Property |
Similar Compounds
Find more compounds similar to (5Z,8Z,11E)-tetradecatrien-2-one.
Sources
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