- InChI
- InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-
- InChI Key
- IHPKGUQCSIINRJ-NTMALXAHSA-N
- Formula
- C10H16
- SMILES
- C=CC(C)=CCC=C(C)C
- Molecular Weight1
- 136.23
- CAS
- 29714-87-2
- Other Names
-
- Octatriene, dimethyl-
- Dimethyloctatriene
- (4E,6E)-2,6-Dimethyl-2,4,6-octatriene
- 2,6-dimethyloctane, hexadehydro derivative
- Ocimene
- 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.
- 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° | 264.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 90.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.26 | 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 | 2445.89 | kPa | Joback Calculated Property |
| Inp | [1019.00; 1052.00] |
|
|
| Inp | 1019.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Tboil | 432.96 | K | Joback Calculated Property |
| Tc | 622.27 | K | Joback Calculated Property |
| Tfus | 162.62 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.68; 345.84] | J/mol×K | [432.96; 622.27] |
|
| Cp,gas | 268.68 | J/mol×K | 432.96 | Joback Calculated Property |
| Cp,gas | 283.41 | J/mol×K | 464.51 | Joback Calculated Property |
| Cp,gas | 297.33 | J/mol×K | 496.06 | Joback Calculated Property |
| Cp,gas | 310.50 | J/mol×K | 527.62 | Joback Calculated Property |
| Cp,gas | 322.94 | J/mol×K | 559.17 | Joback Calculated Property |
| Cp,gas | 334.71 | J/mol×K | 590.72 | Joback Calculated Property |
| Cp,gas | 345.84 | J/mol×K | 622.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,6-dimethyl-, hexadehydro deriv..
Sources
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