- InChI
- InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+
- InChI Key
- AFVDZBIIBXWASR-AATRIKPKSA-N
- Formula
- C6H8
- SMILES
- C=CC=CC=C
- Molecular Weight1
- 80.13
- CAS
- 821-07-8
- Other Names
-
- (E)-1,3,5-Hexatriene
- (E)-CH2=CHCH=CHCH=CH2
- 1,3,5-Hexatriene, trans-
- trans-1,3,5-Hexatriene
- trans-Hexatriene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.2293 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3630.00 ± 10.00 | kJ/mol | NIST |
| ΔfG° | 255.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 168.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 8.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 20.50 | kJ/mol | NIST |
| IE | [8.27; 8.30] | eV |
|
| IE | 8.30 ± 0.02 | eV | NIST |
| IE | 8.29 ± 0.02 | eV | NIST |
| IE | 8.27 | eV | NIST |
| IE | 8.29 | eV | NIST |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.915 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Tboil | 353.40 ± 2.00 | K | NIST |
| Tc | 513.23 | K | Relay (1.0) Calculated Property |
| Tfus | 267.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.39; 167.09] | J/mol×K | [334.20; 514.08] |
|
| Cp,gas | 119.39 | J/mol×K | 334.20 | Joback Calculated Property |
| Cp,gas | 128.51 | J/mol×K | 364.18 | Joback Calculated Property |
| Cp,gas | 137.13 | J/mol×K | 394.16 | Joback Calculated Property |
| Cp,gas | 145.27 | J/mol×K | 424.14 | Joback Calculated Property |
| Cp,gas | 152.97 | J/mol×K | 454.12 | Joback Calculated Property |
| Cp,gas | 160.23 | J/mol×K | 484.10 | Joback Calculated Property |
| Cp,gas | 167.09 | J/mol×K | 514.08 | Joback Calculated Property |
| η | [0.0001656; 0.0024391] | Pa×s | [148.78; 334.20] |
|
| η | 0.0024391 | Pa×s | 148.78 | Joback Calculated Property |
| η | 0.0010595 | Pa×s | 179.68 | Joback Calculated Property |
| η | 0.0005878 | Pa×s | 210.59 | Joback Calculated Property |
| η | 0.0003792 | Pa×s | 241.49 | Joback Calculated Property |
| η | 0.0002702 | Pa×s | 272.39 | Joback Calculated Property |
| η | 0.0002063 | Pa×s | 303.30 | Joback Calculated Property |
| η | 0.0001656 | Pa×s | 334.20 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [259.30; 376.34] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47716e+01 | |||
| Coefficient B | -3.19210e+03 | |||
| Coefficient C | -3.89090e+01 | |||
| Temperature range, min. | 259.30 | |||
| Temperature range, max. | 376.34 | |||
| Pvap | 1.33 | kPa | 259.30 | Calculated Property |
| Pvap | 2.99 | kPa | 272.30 | Calculated Property |
| Pvap | 6.15 | kPa | 285.31 | Calculated Property |
| Pvap | 11.78 | kPa | 298.31 | Calculated Property |
| Pvap | 21.19 | kPa | 311.32 | Calculated Property |
| Pvap | 36.14 | kPa | 324.32 | Calculated Property |
| Pvap | 58.84 | kPa | 337.33 | Calculated Property |
| Pvap | 91.98 | kPa | 350.33 | Calculated Property |
| Pvap | 138.71 | kPa | 363.34 | Calculated Property |
| Pvap | 202.67 | kPa | 376.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Hexatriene, (E)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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