- InChI
- InChI=1S/C10H16/c1-6-10(4,5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7+
- InChI Key
- BYLJEQIUXOYKOB-BQYQJAHWSA-N
- Formula
- C10H16
- SMILES
- C=CC(C)(C)C=CC(=C)C
- Molecular Weight1
- 136.23
- CAS
- 29548-02-5
- Other Names
-
- 2,5,5-Trimethyl-1,3,6-heptatriene
- 3,3,6-Trimethyl-1,4,6-heptatriene
- Artemisia triene
- 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).
- 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° | 283.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 99.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.331 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [918.00; 929.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 927.00 | NIST | |
| I | 1072.00 | NIST | |
| Tboil | 422.37 | K | Joback Calculated Property |
| Tc | 614.94 | K | Joback Calculated Property |
| Tfus | 182.32 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.89; 350.80] | J/mol×K | [422.37; 614.94] |
|
| Cp,gas | 269.89 | J/mol×K | 422.37 | Joback Calculated Property |
| Cp,gas | 285.59 | J/mol×K | 454.47 | Joback Calculated Property |
| Cp,gas | 300.33 | J/mol×K | 486.56 | Joback Calculated Property |
| Cp,gas | 314.18 | J/mol×K | 518.66 | Joback Calculated Property |
| Cp,gas | 327.17 | J/mol×K | 550.75 | Joback Calculated Property |
| Cp,gas | 339.36 | J/mol×K | 582.85 | Joback Calculated Property |
| Cp,gas | 350.80 | J/mol×K | 614.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6-Heptatriene, 2,5,5-trimethyl-.
Sources
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