- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 310 320 330 340 350 360 370 380 500 550 600 650 | ||||
| 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.