- InChI
- InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7+
- InChI Key
- AMXYRHBJZOVHOL-ODYTWBPASA-N
- Formula
- C9H16O
- SMILES
- CCC=CCCC=CCO
- Molecular Weight1
- 140.22
- CAS
- 28069-72-9
- Other Names
-
- (2E,6Z)-2,6-Nonadien-1-ol
- (2E,6Z)-nona-2,6-dien-1-ol
- (E,Z)-2,6-Nonadien-1-ol
- (E,Z)-2,6-Nonadienol
- (E,Z)-Nona-2,6-dienol
- 2,6-Nonadien-1-ol, (2E,6Z)-
- 2,6-Nonadien-1-ol, (E,Z)-
- 2,6-Nonadienol, trans,cis-
- 2-trans-6-cis-Nonadien-1-ol
- Nona-2,6(E,Z)-dienol
- Nonadienol
- trans-2,cis-6-Nonadienol
- trans-2-cis-6-Nonadien-1-ol
- 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).
- 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 | 0.5808 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.281 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [1143.00; 1173.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | Outlier 1143.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1168.00 | NIST | |
| I | [1750.00; 1794.00] |
|
|
| I | 1766.00 | NIST | |
| I | 1766.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1794.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1754.00 | NIST | |
| I | 1754.00 | NIST | |
| I | 1776.00 | NIST | |
| I | 1793.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1759.00 | NIST | |
| Tboil | 480.59 | K | Relay (1.0) Calculated Property |
| Tc | 670.69 | K | Relay (1.0) Calculated Property |
| Tfus | 239.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.67; 361.68] | J/mol×K | [506.02; 678.80] |
|
| Cp,gas | 299.67 | J/mol×K | 506.02 | Joback Calculated Property |
| Cp,gas | 311.33 | J/mol×K | 534.82 | Joback Calculated Property |
| Cp,gas | 322.42 | J/mol×K | 563.61 | Joback Calculated Property |
| Cp,gas | 332.97 | J/mol×K | 592.41 | Joback Calculated Property |
| Cp,gas | 343.01 | J/mol×K | 621.21 | Joback Calculated Property |
| Cp,gas | 352.57 | J/mol×K | 650.00 | Joback Calculated Property |
| Cp,gas | 361.68 | J/mol×K | 678.80 | Joback Calculated Property |
| η | [0.0001004; 0.0451627] | Pa×s | [241.85; 506.02] |
|
| η | 0.0451627 | Pa×s | 241.85 | Joback Calculated Property |
| η | 0.0074495 | Pa×s | 285.88 | Joback Calculated Property |
| η | 0.0019878 | Pa×s | 329.91 | Joback Calculated Property |
| η | 0.0007240 | Pa×s | 373.93 | Joback Calculated Property |
| η | 0.0003262 | Pa×s | 417.96 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 461.99 | Joback Calculated Property |
| η | 0.0001004 | Pa×s | 506.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans,cis-2,6-Nonadien-1-ol.
Sources
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