- InChI
- InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
- InChI Key
- WTEVQBCEXWBHNA-JXMROGBWSA-N
- Formula
- C10H16O
- SMILES
- CC(C)=CCCC(C)=CC=O
- Molecular Weight1
- 152.23
- CAS
- 141-27-5
- Other Names
-
- «alpha»-Citral
- (E)-Citral
- trans-Citral
- trans-3,7-Dimethyl-2,6-octadienal
- Citral a
- Geranaldehyde
- Geranial
- Citral «alpha»
- (E)-3,7-Dimethyl-2,6-octadienal
- (E)-3,7-Dimethylocta-2,6-dienal
- trans-3,7-dimethyl-octa-2,6-dienal
- (E)-Geranial
- (E)-Neral
- 2,6-Octadienal, 3,7-dimethyl-, (2E)-
- «beta»-Geranial
- trans-3,7-dimethyl-2,6-octadienal (geranial)
- E-Citral (geranial)
- geranial («alpha»-Citral)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | [61.00; 62.50] | kJ/mol |
|
| ΔvapH° | 62.50 | kJ/mol | NIST |
| ΔvapH° | 61.00 | kJ/mol | NIST |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 2.878 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1218.00; 1287.00] |
|
|
| Inp | 1250.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1278.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | Outlier 1218.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | Outlier 1223.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1250.00 | NIST | |
| I | [1714.00; 1744.00] |
|
|
| I | 1733.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1731.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1729.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1730.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1744.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1738.00 | NIST | |
| I | 1741.00 | NIST | |
| I | 1735.00 | 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 |
| ΔvapH | 54.90 | kJ/mol | 437.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 391.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2,6-Octadienal, 3,7-dimethyl-, (E)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.