- InChI
- InChI=1S/C8H12/c1-7(2)5-6-8(3)4/h5-6H,1,3H2,2,4H3
- InChI Key
- ZVFFWOKVVPSTAL-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=C(C)C=CC(=C)C
- Molecular Weight1
- 108.18
- CAS
- 4916-63-6
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.3227 | Relay (... Calculated Property | |
| ΔfG° | 255.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 85.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.32 | eV | Relay (... Calculated Property |
| log10WS | -3.37 | Relay (... Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 398.00 ± 4.00 | K | NIST |
| Tc | 573.83 | K | Relay (... Calculated Property |
| Tfus | 253.66 | K | Relay (... Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.07; 253.07] | J/mol×K | [379.72; 566.32] | 
|
| Cp,gas | 189.07 | J/mol×K | 379.72 | Joback Calculated Property |
| Cp,gas | 201.26 | J/mol×K | 410.82 | Joback Calculated Property |
| Cp,gas | 212.80 | J/mol×K | 441.92 | Joback Calculated Property |
| Cp,gas | 223.72 | J/mol×K | 473.02 | Joback Calculated Property |
| Cp,gas | 234.05 | J/mol×K | 504.12 | Joback Calculated Property |
| Cp,gas | 243.82 | J/mol×K | 535.22 | Joback Calculated Property |
| Cp,gas | 253.07 | J/mol×K | 566.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [313.32; 417.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.76927e+01 | |||
| Coefficient B | -4.44955e+03 | |||
| Coefficient C | -5.76740e+01 | |||
| Temperature range, min. | 313.32 | |||
| Temperature range, max. | 417.05 | |||
| Pvap | 1.33 | kPa | 313.32 | Calculated Property |
| Pvap | 2.82 | kPa | 324.85 | Calculated Property |
| Pvap | 5.62 | kPa | 336.37 | Calculated Property |
| Pvap | 10.60 | kPa | 347.90 | Calculated Property |
| Pvap | 19.04 | kPa | 359.42 | Calculated Property |
| Pvap | 32.76 | kPa | 370.95 | Calculated Property |
| Pvap | 54.23 | kPa | 382.47 | Calculated Property |
| Pvap | 86.73 | kPa | 394.00 | Calculated Property |
| Pvap | 134.44 | kPa | 405.52 | Calculated Property |
| Pvap | 202.63 | kPa | 417.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-dimethyl-1,3,5-hexatriene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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