- InChI
- InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
- InChI Key
- GQVMHMFBVWSSPF-SOYUKNQTSA-N
- Formula
- C10H16
- SMILES
- CC=C(C)C=CC=C(C)C
- Molecular Weight1
- 136.23
- CAS
- 3016-19-1
- Other Names
-
- (E,E)-alloocimene
- 2,6-Dimethyl-octa-2,4,6-triene, trans
- trans,trans-Alloocimene
- Alloocimene, trans
- 4-trans-6-trans-alloocimene
- (E,E)-2,6-dimethylocta-2,4,6-triene
- 2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-
- 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).
- 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° | 256.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.475 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Inp | [1121.00; 1146.00] |
|
|
| Inp | 1121.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1143.50 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1143.50 | NIST | |
| Inp | 1121.00 | NIST | |
| I | [1366.00; 1393.00] |
|
|
| I | 1391.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1393.00 | NIST | |
| Tboil | 440.44 | K | Joback Calculated Property |
| Tc | 635.07 | K | Joback Calculated Property |
| Tfus | 159.30 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.43; 347.53] | J/mol×K | [440.44; 635.07] |
|
| Cp,gas | 269.43 | J/mol×K | 440.44 | Joback Calculated Property |
| Cp,gas | 284.46 | J/mol×K | 472.88 | Joback Calculated Property |
| Cp,gas | 298.62 | J/mol×K | 505.32 | Joback Calculated Property |
| Cp,gas | 311.96 | J/mol×K | 537.75 | Joback Calculated Property |
| Cp,gas | 324.52 | J/mol×K | 570.19 | Joback Calculated Property |
| Cp,gas | 336.36 | J/mol×K | 602.63 | Joback Calculated Property |
| Cp,gas | 347.53 | J/mol×K | 635.07 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to allo- neo-Ocimene.
Sources
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