- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
- InChI Key
- PRBHEGAFLDMLAL-GQCTYLIASA-N
- Formula
- C6H10
- SMILES
- C=CCC=CC
- Molecular Weight1
- 82.14
- CAS
- 7319-00-8
- Other Names
-
- (4E)-1,4-Hexadiene
- (E)-1,4-HEXADIENE
- (E)-CH2=CHCH2CH=CHCH3
- 1,4-Hexadiene, (E)-
- 1,trans-4-Hexadiene
- 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).
- 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).
- 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° | 167.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 74.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 10.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.24 | kJ/mol | Joback Calculated Property |
| IE | 8.98 ± 0.05 | eV | NIST |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Inp | [583.00; 598.00] |
|
|
| Inp | 584.30 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | Outlier 598.00 | NIST | |
| Tboil | 337.52 | K | Joback Calculated Property |
| Tc | 513.57 | K | Joback Calculated Property |
| Tfus | 150.54 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.12; 183.93] | J/mol×K | [337.52; 513.57] |
|
| Cp,gas | 132.12 | J/mol×K | 337.52 | Joback Calculated Property |
| Cp,gas | 141.86 | J/mol×K | 366.86 | Joback Calculated Property |
| Cp,gas | 151.13 | J/mol×K | 396.20 | Joback Calculated Property |
| Cp,gas | 159.96 | J/mol×K | 425.54 | Joback Calculated Property |
| Cp,gas | 168.36 | J/mol×K | 454.89 | Joback Calculated Property |
| Cp,gas | 176.34 | J/mol×K | 484.23 | Joback Calculated Property |
| Cp,gas | 183.93 | J/mol×K | 513.57 | Joback Calculated Property |
| η | [0.0001758; 0.0031761] | Pa×s | [150.54; 337.52] |
|
| η | 0.0031761 | Pa×s | 150.54 | Joback Calculated Property |
| η | 0.0012964 | Pa×s | 181.70 | Joback Calculated Property |
| η | 0.0006879 | Pa×s | 212.87 | Joback Calculated Property |
| η | 0.0004292 | Pa×s | 244.03 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 275.19 | Joback Calculated Property |
| η | 0.0002228 | Pa×s | 306.36 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 337.52 | Joback Calculated Property |
| ΔvapH | 30.20 | kJ/mol | 313.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [244.99; 368.44] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36071e+01 | |||
| Coefficient B | -2.71514e+03 | |||
| Coefficient C | -4.11410e+01 | |||
| Temperature range, min. | 244.99 | |||
| Temperature range, max. | 368.44 | |||
| Pvap | 1.33 | kPa | 244.99 | Calculated Property |
| Pvap | 3.09 | kPa | 258.71 | Calculated Property |
| Pvap | 6.47 | kPa | 272.42 | Calculated Property |
| Pvap | 12.49 | kPa | 286.14 | Calculated Property |
| Pvap | 22.47 | kPa | 299.86 | Calculated Property |
| Pvap | 38.12 | kPa | 313.57 | Calculated Property |
| Pvap | 61.47 | kPa | 327.29 | Calculated Property |
| Pvap | 94.87 | kPa | 341.01 | Calculated Property |
| Pvap | 140.98 | kPa | 354.72 | Calculated Property |
| Pvap | 202.65 | kPa | 368.44 | Calculated Property |
| Pvap | [29.86; 61.09] | kPa | [304.15; 323.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.82968e+01 | |||
| Coefficient B | -5.78667e+03 | |||
| Coefficient C | -8.14697e+00 | |||
| Coefficient D | 7.63058e-06 | |||
| Temperature range, min. | 304.15 | |||
| Temperature range, max. | 323.15 | |||
| Pvap | 29.86 | kPa | 304.15 | Calculated Property |
| Pvap | 32.50 | kPa | 306.26 | Calculated Property |
| Pvap | 35.32 | kPa | 308.37 | Calculated Property |
| Pvap | 38.33 | kPa | 310.48 | Calculated Property |
| Pvap | 41.56 | kPa | 312.59 | Calculated Property |
| Pvap | 44.99 | kPa | 314.71 | Calculated Property |
| Pvap | 48.65 | kPa | 316.82 | Calculated Property |
| Pvap | 52.55 | kPa | 318.93 | Calculated Property |
| Pvap | 56.69 | kPa | 321.04 | Calculated Property |
| Pvap | 61.09 | kPa | 323.15 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-1,4-Hexadiene.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.