- InChI
- InChI=1S/C12H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-12H,2-5H2,1H3/b7-6-,9-8+,11-10+
- InChI Key
- IZNAXSQBWJPYHG-KBPWROHVSA-N
- Formula
- C12H18O
- SMILES
- CCCCCC=CC=CC=CC=O
- Molecular Weight1
- 178.27
- 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.
- 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 | 0.4608 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | 1577.00 | NIST | |
| I | 2183.00 | NIST | |
| Tboil | 505.20 | K | Relay (1.0) Calculated Property |
| Tc | 708.06 | K | Relay (1.0) Calculated Property |
| Tfus | 333.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.95; 537.45] | 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 | -3.91660e+01 | |||
| Coefficient B | 1.17832e+00 | |||
| Coefficient C | -8.73400e-04 | |||
| Coefficient D | 2.71700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 280.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 373.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 442.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 470.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 517.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 537.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041052; 0.0001813] | Pa×s | [251.76; 506.50] |
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 | -1.16987e+01 | |||
| Coefficient B | 1.56171e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 251.76 | |||
| Temperature range, max. | 506.50 | |||
| η | 0.0041052 | Pa×s | 251.76 | Calculated Property |
| η | 0.0021931 | Pa×s | 280.06 | Calculated Property |
| η | 0.0013146 | Pa×s | 308.37 | Calculated Property |
| η | 0.0008588 | Pa×s | 336.67 | Calculated Property |
| η | 0.0005993 | Pa×s | 364.98 | Calculated Property |
| η | 0.0004404 | Pa×s | 393.28 | Calculated Property |
| η | 0.0003374 | Pa×s | 421.59 | Calculated Property |
| η | 0.0002672 | Pa×s | 449.89 | Calculated Property |
| η | 0.0002176 | Pa×s | 478.20 | Calculated Property |
| η | 0.0001813 | Pa×s | 506.50 | Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,Z)-2,4,6-dodecatrienal.
Sources
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