- InChI
- InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+
- InChI Key
- LDQDYNHCLZNOFB-IGTJQSIKSA-N
- Formula
- C12H20O
- SMILES
- CCCCC=CC=CCCCC=O
- Molecular Weight1
- 180.29
- 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 | 0.5126 | Relay (1.0) Calculated Property | |
| ΔfG° | 111.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.658 | Crippen Calculated Property | |
| McVol | 172.910 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | [1441.00; 1442.00] |
|
|
| Inp | 1441.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1441.00 | NIST | |
| Ip | [1895.00; 1896.00] |
|
|
| Ip | 1895.00 | NIST | |
| Ip | 1896.00 | NIST | |
| Ip | 1896.00 | NIST | |
| Ip | 1895.00 | NIST | |
| Tboil | 503.86 | K | Relay (1.0) Calculated Property |
| Tc | 704.56 | K | Relay (1.0) Calculated Property |
| Tfus | 290.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.95; 568.04] | 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 | -2.49840e+01 | |||
| Coefficient B | 1.15832e+00 | |||
| Coefficient C | -7.89600e-04 | |||
| Coefficient D | 2.24300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 295.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 432.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 466.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 496.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 523.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 546.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 568.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043899; 0.0002207] | Pa×s | [256.84; 498.18] |
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 | -1.16014e+01 | |||
| Coefficient B | 1.58547e+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. | 256.84 | |||
| Temperature range, max. | 498.18 | |||
| η | 0.0043899 | Pa×s | 256.84 | Calculated Property |
| η | 0.0024492 | Pa×s | 283.66 | Calculated Property |
| η | 0.0015113 | Pa×s | 310.47 | Calculated Property |
| η | 0.0010070 | Pa×s | 337.29 | Calculated Property |
| η | 0.0007123 | Pa×s | 364.10 | Calculated Property |
| η | 0.0005284 | Pa×s | 390.92 | Calculated Property |
| η | 0.0004073 | Pa×s | 417.73 | Calculated Property |
| η | 0.0003239 | Pa×s | 444.55 | Calculated Property |
| η | 0.0002645 | Pa×s | 471.36 | Calculated Property |
| η | 0.0002207 | Pa×s | 498.18 | Calculated Property |
Similar Compounds
Find more compounds similar to E5,Z7-dodecadienal.
Sources
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