- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
- InChI Key
- PYGSKMBEVAICCR-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=CCCC=C
- Molecular Weight1
- 82.14
- CAS
- 592-42-7
- Other Names
-
- .alpha.,.omega.-hexadiene
- BIALLYL
- CH2=CHCH2CH2CH=CH2
- Diallyl
- HEXADIENE
- Hexa-1,5-diene
- «alpha»,«OMEGA»-Hexadiene
- «alpha»,«OMEGA»-Hexadiene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| ω | 0.1600 | KDB | |
| ΔcH°liquid | [-3881.00; -3844.30] | kJ/mol |
|
| ΔcH°liquid | -3844.30 ± 0.30 | kJ/mol | NIST |
| ΔcH°liquid | -3881.00 | kJ/mol | NIST |
| ΔcH°solid | -3874.00 | kJ/mol | NIST |
| ΔfG° | 175.32 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 3849.28 | kJ/mol | KDB |
| Δc,netH | 3629.202 | kJ/mol | KDB |
| ΔfH°gas | [83.74; 85.00] | kJ/mol |
|
| ΔfH°gas | 83.74 | kJ/mol | KDB |
| ΔfH°gas | 85.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 8.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.61 | kJ/mol | Joback Calculated Property |
| IE | [9.25; 9.59] | eV |
|
| IE | 9.27 ± 0.05 | eV | NIST |
| IE | 9.29 ± 0.05 | eV | NIST |
| IE | 9.29 | eV | NIST |
| IE | 9.25 | eV | NIST |
| IE | 9.59 ± 0.02 | eV | NIST |
| log10WS | [-2.68; -2.68] |
|
|
| log10WS | -2.68 | Aq. Sol... | |
| log10WS | -2.68 | Estimat... | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3440.00 | kPa | KDB |
| Inp | [560.70; 581.60] |
|
|
| Inp | 575.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 562.80 | NIST | |
| Inp | 562.70 | NIST | |
| Inp | 562.80 | NIST | |
| Inp | 563.30 | NIST | |
| Inp | 560.70 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 576.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | Outlier 581.60 | NIST | |
| Inp | 568.00 | NIST | |
| Inp | Outlier 578.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 563.30 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 566.00 | NIST | |
| Tboil | [332.00; 334.00] | K |
|
| Tboil | 332.60 | K | KDB |
| Tboil | 333.00 | K | NIST |
| Tboil | 332.60 | K | NIST |
| Tboil | 332.65 ± 0.20 | K | NIST |
| Tboil | 332.67 ± 0.20 | K | NIST |
| Tboil | 332.61 ± 0.30 | K | NIST |
| Tboil | 332.70 ± 0.40 | K | NIST |
| Tboil | 332.30 ± 0.50 | K | NIST |
| Tboil | 332.55 ± 0.50 | K | NIST |
| Tboil | 332.40 ± 1.00 | K | NIST |
| Tboil | 332.00 ± 4.00 | K | NIST |
| Tboil | 332.82 ± 1.00 | K | NIST |
| Tboil | 333.00 ± 3.00 | K | NIST |
| Tboil | 333.65 ± 1.50 | K | NIST |
| Tboil | Outlier 334.00 ± 2.00 | K | NIST |
| Tc | [508.00; 508.00] | K |
|
| Tc | 508.00 | K | KDB |
| Tc | 508.00 | K | NIST |
| Tfus | [132.00; 132.50] | K |
|
| Tfus | 132.40 | K | KDB |
| Tfus | 132.25 | K | Aq. Sol... |
| Tfus | 132.50 ± 0.20 | K | NIST |
| Tfus | 132.50 ± 0.20 | K | NIST |
| Tfus | 132.44 ± 0.04 | K | NIST |
| Tfus | 132.40 ± 0.50 | K | NIST |
| Tfus | 132.10 ± 0.50 | K | NIST |
| Tfus | 132.00 ± 0.50 | K | NIST |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.09; 183.19] | J/mol×K | [330.04; 500.25] |
|
| Cp,gas | 133.09 | J/mol×K | 330.04 | Joback Calculated Property |
| Cp,gas | 142.39 | J/mol×K | 358.41 | Joback Calculated Property |
| Cp,gas | 151.29 | J/mol×K | 386.78 | Joback Calculated Property |
| Cp,gas | 159.81 | J/mol×K | 415.14 | Joback Calculated Property |
| Cp,gas | 167.96 | J/mol×K | 443.51 | Joback Calculated Property |
| Cp,gas | 175.75 | J/mol×K | 471.88 | Joback Calculated Property |
| Cp,gas | 183.19 | J/mol×K | 500.25 | Joback Calculated Property |
| Cp,liquid | 133.10 | J/mol×K | 298.00 | NIST |
| η | [0.0002043; 0.0027097] | Pa×s | [153.86; 330.04] |
|
| η | 0.0027097 | Pa×s | 153.86 | Joback Calculated Property |
| η | 0.0012470 | Pa×s | 183.22 | Joback Calculated Property |
| η | 0.0007111 | Pa×s | 212.59 | Joback Calculated Property |
| η | 0.0004647 | Pa×s | 241.95 | Joback Calculated Property |
| η | 0.0003330 | Pa×s | 271.31 | Joback Calculated Property |
| η | 0.0002547 | Pa×s | 300.68 | Joback Calculated Property |
| η | 0.0002043 | Pa×s | 330.04 | Joback Calculated Property |
| ΔvapH | [28.60; 30.50] | kJ/mol | [303.00; 316.00] |
|
| ΔvapH | 30.50 | kJ/mol | 303.00 | NIST |
| ΔvapH | 28.60 | kJ/mol | 309.50 | NIST |
| ΔvapH | 29.40 | kJ/mol | 316.00 | NIST |
| Pvap | [56.00; 316.61] | kPa | [313.05; 373.10] |
|
| Pvap | 56.00 | kPa | 313.05 | Vapor L... |
| Pvap | 78.00 | kPa | 322.92 | Vapor L... |
| Pvap | 109.00 | kPa | 333.00 | Vapor L... |
| Pvap | 103.15 | kPa | 333.15 | Vapor-L... |
| Pvap | 147.00 | kPa | 342.76 | Vapor L... |
| Pvap | 197.00 | kPa | 352.84 | Vapor L... |
| Pvap | 256.00 | kPa | 362.75 | Vapor L... |
| Pvap | 303.00 | kPa | 369.36 | Vapor L... |
| Pvap | 316.61 | kPa | 373.10 | Vapor-L... |
| n0 | 1.40100 | 298.15 | KDB | |
| ρl | 692.00 | kg/m3 | 293.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [237.99; 356.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41863e+01 | |||
| Coefficient B | -2.91748e+03 | |||
| Coefficient C | -2.80800e+01 | |||
| Temperature range, min. | 237.99 | |||
| Temperature range, max. | 356.81 | |||
| Pvap | 1.33 | kPa | 237.99 | Calculated Property |
| Pvap | 3.03 | kPa | 251.19 | Calculated Property |
| Pvap | 6.30 | kPa | 264.39 | Calculated Property |
| Pvap | 12.11 | kPa | 277.60 | Calculated Property |
| Pvap | 21.79 | kPa | 290.80 | Calculated Property |
| Pvap | 37.07 | kPa | 304.00 | Calculated Property |
| Pvap | 60.07 | kPa | 317.20 | Calculated Property |
| Pvap | 93.34 | kPa | 330.41 | Calculated Property |
| Pvap | 139.77 | kPa | 343.61 | Calculated Property |
| Pvap | 202.62 | kPa | 356.81 | Calculated Property |
| Pvap | [9.96e-07; 3267.75] | kPa | [132.47; 507.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.38501e+01 | |||
| Coefficient B | -5.15837e+03 | |||
| Coefficient C | -5.89548e+00 | |||
| Coefficient D | 4.41960e-06 | |||
| Temperature range, min. | 132.47 | |||
| Temperature range, max. | 507.00 | |||
| Pvap | 9.96e-07 | kPa | 132.47 | Calculated Property |
| Pvap | 2.32e-03 | kPa | 174.08 | Calculated Property |
| Pvap | 0.21 | kPa | 215.70 | Calculated Property |
| Pvap | 3.95 | kPa | 257.31 | Calculated Property |
| Pvap | 29.47 | kPa | 298.93 | Calculated Property |
| Pvap | 126.64 | kPa | 340.54 | Calculated Property |
| Pvap | 381.47 | kPa | 382.16 | Calculated Property |
| Pvap | 905.43 | kPa | 423.77 | Calculated Property |
| Pvap | 1822.85 | kPa | 465.39 | Calculated Property |
| Pvap | 3267.75 | kPa | 507.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadiene.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Relation between characteristic molecular volume and hydrophobicity of nonpolar molecules
- Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
- Vapor Liquid Equilibria of the Binary System 1,5-Hexadiene + Allyl Chloride
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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