- InChI
- InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
- InChI Key
- WTEVQBCEXWBHNA-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC(C)=CCCC(C)=CC=O
- Molecular Weight1
- 152.23
- CAS
- 5392-40-5
- Other Names
-
- (2E)-3,7-Dimethyl-2,6-octadienal
- 2,6-octadienal, 3,7-dimethyl-, (cis+trans)
- 3,7-Dimethyl-1,2,6-octadienal
- 3,7-Dimethyl-2,6-octadien-1-al
- 3,7-Dimethyl-2,6-octadienal
- 3,7-Dimethyl-2,6-octadiene-1-al
- 3,7-dimethyl-2,6-octadienal (cis+trans)
- Citral
- Citral (cis and trans)
- Citral acis-3,7-dimethyl-2,6-octadienal
- Citral,c&t
- Lemarome n
- Lemsyn GB
- NCI-C56348
- NSC 6170
- Neral
- Z-3,7-Dimethyl-2,6-octadiene-1-al
- cis,trans-Citral
- cis-Citral
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| ΔfG° | 77.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.90 | kJ/mol | NIST |
| log10WS | [-2.06; -2.06] |
|
|
| log10WS | -2.06 | Aq. Sol... | |
| log10WS | -2.06 | Estimat... | |
| logPoct/wat | 2.878 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1213.00; 1276.00] |
|
|
| Inp | 1237.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1240.50 | NIST | |
| Inp | 1240.60 | NIST | |
| Inp | 1240.50 | NIST | |
| Inp | 1242.50 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1237.00 | NIST | |
| I | [1670.00; 1733.00] |
|
|
| I | 1717.50 | NIST | |
| I | 1720.40 | NIST | |
| I | 1716.20 | NIST | |
| I | 1717.50 | NIST | |
| I | Outlier 1670.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1717.50 | NIST | |
| Tboil | 502.20 | K | NIST |
| Tc | 675.98 | K | Joback Calculated Property |
| Tfus | 206.38 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.04; 381.76] | J/mol×K | [484.94; 675.98] |
|
| Cp,gas | 309.04 | J/mol×K | 484.94 | Joback Calculated Property |
| Cp,gas | 322.90 | J/mol×K | 516.78 | Joback Calculated Property |
| Cp,gas | 336.01 | J/mol×K | 548.62 | Joback Calculated Property |
| Cp,gas | 348.41 | J/mol×K | 580.46 | Joback Calculated Property |
| Cp,gas | 360.14 | J/mol×K | 612.30 | Joback Calculated Property |
| Cp,gas | 371.25 | J/mol×K | 644.14 | Joback Calculated Property |
| Cp,gas | 381.76 | J/mol×K | 675.98 | Joback Calculated Property |
| Cp,liquid | 304.50 | J/mol×K | 293.00 | NIST |
| η | [0.0008420; 0.0028220] | Pa×s | [283.15; 353.15] |
|
| η | 0.0028220 | Pa×s | 283.15 | Density... |
| η | 0.0022250 | Pa×s | 293.15 | Density... |
| η | 0.0021110 | Pa×s | 298.15 | Density... |
| η | 0.0018070 | Pa×s | 303.15 | Density... |
| η | 0.0015020 | Pa×s | 313.15 | Density... |
| η | 0.0012740 | Pa×s | 323.15 | Density... |
| η | 0.0010970 | Pa×s | 333.15 | Density... |
| η | 0.0009560 | Pa×s | 343.15 | Density... |
| η | 0.0008420 | Pa×s | 353.15 | Density... |
| ρl | 884.84 | kg/m3 | 298.20 | Physica... |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 101.80 | 298.15 | 883.42 |
| Reference | ||
Similar Compounds
Find more compounds similar to 2,6-Octadienal, 3,7-dimethyl-.
Mixtures
Sources
- Crippen Method
- Viscosities and densities of systems involved in the deterpenation of essential oils by liquid-liquid extraction: New UNIFAC-VISCO parameters
- Physical Behavior of the Phases from the Liquid-Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K
- Vapor Liquid Equilibria Measurements of Bitter Orange Aroma Compounds Highly Diluted in Boiling Hydro-Alcoholic Solutions at 101.3 kPa
- Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.