- InChI
- InChI=1S/C10H18/c1-6-10(4,5)8-7-9(2)3/h6-7H,1,8H2,2-5H3
- InChI Key
- HRAGAKKBZWYBSJ-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- C=CC(C)(C)CC=C(C)C
- Molecular Weight1
- 138.25
- CAS
- 35387-63-4
- Other Names
-
- 2,5,5-Trimethyl-2,6-heptadien
- 2,5,5-Trimethyl-2,6-heptadiene
- 2,6-Heptadiene, 2,5,5-trimethyl-
- 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).
- 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° | 195.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 3.555 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Tboil | [422.00; 422.90] | K |
|
| Tboil | 422.00 ± 3.00 | K | NIST |
| Tboil | 422.90 ± 2.00 | K | NIST |
| Tc | 614.17 | K | Joback Calculated Property |
| Tfus | 184.08 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.88; 370.43] | J/mol×K | [425.69; 614.17] |
|
| Cp,gas | 285.88 | J/mol×K | 425.69 | Joback Calculated Property |
| Cp,gas | 302.10 | J/mol×K | 457.10 | Joback Calculated Property |
| Cp,gas | 317.41 | J/mol×K | 488.52 | Joback Calculated Property |
| Cp,gas | 331.85 | J/mol×K | 519.93 | Joback Calculated Property |
| Cp,gas | 345.47 | J/mol×K | 551.34 | Joback Calculated Property |
| Cp,gas | 358.31 | J/mol×K | 582.76 | Joback Calculated Property |
| Cp,gas | 370.43 | J/mol×K | 614.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadiene, 3,3,6-trimethyl-.
Sources
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