- 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=CC/C=C/C
- Molecular Weight1
- 82.15
- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.1759 | Relay (1.0) Calculated Property | |
| 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° | 32.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 ± 0.05 | eV | NIST |
| log10WS | -2.78 | Relay (1.0) 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 | 338.14 | K | Relay (1.0) Calculated Property |
| Tc | 508.32 | K | Relay (1.0) Calculated Property |
| Tfus | 144.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.320 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 30.20 | kJ/mol | 313.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.95; 269.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.97390e+01 | |||
| Coefficient B | 5.73820e-01 | |||
| Coefficient C | -4.09300e-04 | |||
| Coefficient D | 1.25000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 162.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 184.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 203.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 219.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 234.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 247.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 258.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 269.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031761; 0.0001522] | Pa×s | [150.54; 359.71] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.09765e+01 | |||
| Coefficient B | 7.86480e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 150.54 | |||
| Temperature range, max. | 359.71 | |||
| η | 0.0031761 | Pa×s | 150.54 | Calculated Property |
| η | 0.0015792 | Pa×s | 173.78 | Calculated Property |
| η | 0.0009260 | Pa×s | 197.02 | Calculated Property |
| η | 0.0006077 | Pa×s | 220.26 | Calculated Property |
| η | 0.0004322 | Pa×s | 243.50 | Calculated Property |
| η | 0.0003262 | Pa×s | 266.75 | Calculated Property |
| η | 0.0002575 | Pa×s | 289.99 | Calculated Property |
| η | 0.0002106 | Pa×s | 313.23 | Calculated Property |
| η | 0.0001771 | Pa×s | 336.47 | Calculated Property |
| η | 0.0001522 | Pa×s | 359.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [244.99; 368.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.82968e+01 | |||
| Coefficient B | -5.78667e+03 | |||
| Coefficient C | -8.14697e+00 | |||
| Coefficient D | 7.63058e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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