- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3
- InChI Key
- APPOKADJQUIAHP-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- CC=CC=CC
- Molecular Weight1
- 82.14
- CAS
- 592-46-1
- Other Names
-
- 1,4-Dimethylbutadiene
- Bipropenyl
- CH3CH=CHCH=CHCH3
- Dipropenyl
- Hexa-2,4-diene
- cis,trans-hexa-2,4-diene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | 160.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 67.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.87 | kJ/mol | Joback Calculated Property |
| IE | [8.09; 8.48] | eV |
|
| IE | 8.48 ± 0.05 | eV | NIST |
| IE | 8.19 | eV | NIST |
| IE | 8.09 ± 0.03 | eV | NIST |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [629.00; 664.00] |
|
|
| Inp | 661.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 661.00 | NIST | |
| I | [1280.00; 1284.00] |
|
|
| I | 1280.00 | NIST | |
| I | 1284.00 | NIST | |
| Tboil | [351.00; 356.00] | K |
|
| Tboil | 355.20 | K | NIST |
| Tboil | 353.20 | K | NIST |
| Tboil | 356.00 ± 3.00 | K | NIST |
| Tboil | 355.20 ± 2.00 | K | NIST |
| Tboil | 354.00 ± 2.00 | K | NIST |
| Tboil | 355.20 ± 2.00 | K | NIST |
| Tboil | 355.00 ± 2.00 | K | NIST |
| Tboil | 355.20 ± 2.00 | K | NIST |
| Tboil | 352.70 ± 4.00 | K | NIST |
| Tboil | 355.50 ± 2.00 | K | NIST |
| Tboil | 354.00 ± 2.00 | K | NIST |
| Tboil | 355.00 ± 2.00 | K | NIST |
| Tboil | Outlier 351.00 ± 3.00 | K | NIST |
| Tboil | 355.15 ± 2.00 | K | NIST |
| Tc | 527.01 | K | Joback Calculated Property |
| Tfus | 147.22 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.24; 184.66] | J/mol×K | [345.00; 527.01] |
|
| Cp,gas | 131.24 | J/mol×K | 345.00 | Joback Calculated Property |
| Cp,gas | 141.42 | J/mol×K | 375.33 | Joback Calculated Property |
| Cp,gas | 151.05 | J/mol×K | 405.67 | Joback Calculated Property |
| Cp,gas | 160.17 | J/mol×K | 436.00 | Joback Calculated Property |
| Cp,gas | 168.79 | J/mol×K | 466.34 | Joback Calculated Property |
| Cp,gas | 176.95 | J/mol×K | 496.67 | Joback Calculated Property |
| Cp,gas | 184.66 | J/mol×K | 527.01 | Joback Calculated Property |
| η | [0.0001508; 0.0037874] | Pa×s | [147.22; 345.00] |
|
| η | 0.0037874 | Pa×s | 147.22 | Joback Calculated Property |
| η | 0.0013538 | Pa×s | 180.18 | Joback Calculated Property |
| η | 0.0006652 | Pa×s | 213.15 | Joback Calculated Property |
| η | 0.0003954 | Pa×s | 246.11 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 279.07 | Joback Calculated Property |
| η | 0.0001943 | Pa×s | 312.04 | Joback Calculated Property |
| η | 0.0001508 | Pa×s | 345.00 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [264.02; 375.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54329e+01 | |||
| Coefficient B | -3.40305e+03 | |||
| Coefficient C | -3.93260e+01 | |||
| Temperature range, min. | 264.02 | |||
| Temperature range, max. | 375.55 | |||
| Pvap | 1.33 | kPa | 264.02 | Calculated Property |
| Pvap | 2.94 | kPa | 276.41 | Calculated Property |
| Pvap | 6.00 | kPa | 288.80 | Calculated Property |
| Pvap | 11.45 | kPa | 301.20 | Calculated Property |
| Pvap | 20.59 | kPa | 313.59 | Calculated Property |
| Pvap | 35.21 | kPa | 325.98 | Calculated Property |
| Pvap | 57.58 | kPa | 338.37 | Calculated Property |
| Pvap | 90.56 | kPa | 350.77 | Calculated Property |
| Pvap | 137.57 | kPa | 363.16 | Calculated Property |
| Pvap | 202.65 | kPa | 375.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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