- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4+
- InChI Key
- APPOKADJQUIAHP-CIIODKQPSA-N
- Formula
- C6H10
- SMILES
- CC=CC=CC
- Molecular Weight1
- 82.14
- CAS
- 5194-50-3
- Other Names
-
- (E),(Z)-CH3CH=CHCH=CHCH3
- (E,Z)-2,4-HEXADIENE
- (Z,E)-2,4-Hexadiene
- CIS,TRANS-2,4-HEXADIENE
- 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.
- 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 | 48.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 11.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.87 | kJ/mol | Joback Calculated Property |
| IE | [8.22; 8.26] | eV |
|
| IE | 8.24 ± 0.05 | eV | NIST |
| IE | 8.26 | eV | NIST |
| IE | 8.25 ± 0.02 | eV | NIST |
| IE | 8.22 | 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 | [636.40; 673.00] |
|
|
| Inp | 654.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 636.40 | NIST | |
| Inp | 673.00 | NIST | |
| Tboil | [354.20; 356.62] | K |
|
| Tboil | 354.20 | K | NIST |
| Tboil | 356.62 ± 0.40 | K | NIST |
| Tc | 527.01 | K | Joback Calculated Property |
| Tfus | 177.10 ± 0.40 | K | NIST |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 130 140 150 160 170 180 190 350 400 450 500 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 4.00e-3 150 200 250 300 | ||||
| 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 | [3.78e-04; 3295.65] | kPa | [177.05; 538.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.03125e+01 | |||
| Coefficient B | -5.90969e+03 | |||
| Coefficient C | -6.75131e+00 | |||
| Coefficient D | 4.22754e-06 | |||
| Temperature range, min. | 177.05 | |||
| Temperature range, max. | 538.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 200 300 400 500 | ||||
| Pvap | 3.78e-04 | kPa | 177.05 | Calculated Property |
| Pvap | 0.05 | kPa | 217.16 | Calculated Property |
| Pvap | 1.16 | kPa | 257.26 | Calculated Property |
| Pvap | 10.64 | kPa | 297.37 | Calculated Property |
| Pvap | 53.50 | kPa | 337.47 | Calculated Property |
| Pvap | 181.80 | kPa | 377.58 | Calculated Property |
| Pvap | 472.99 | kPa | 417.68 | Calculated Property |
| Pvap | 1020.50 | kPa | 457.79 | Calculated Property |
| Pvap | 1925.50 | kPa | 497.89 | Calculated Property |
| Pvap | 3295.65 | kPa | 538.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiene, (E,Z)-.
Sources
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