- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3
- InChI Key
- DPUXQWOMYBMHRN-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- CC=C=CCC
- Molecular Weight1
- 82.14
- CAS
- 592-49-4
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.1886 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 ± 0.05 | eV | NIST |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Tboil | 341.15 ± 1.00 | K | NIST |
| Tc | 532.29 | K | Relay (1.0) Calculated Property |
| Tfus | 164.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.325 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.25; 269.20] | 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 | 1.15610e+01 | |||
| Coefficient B | 4.43140e-01 | |||
| Coefficient C | -2.31000e-04 | |||
| Coefficient D | 4.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 164.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 184.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 203.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 219.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 234.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 247.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 259.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 269.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [248.18; 364.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39861e+01 | |||
| Coefficient B | -2.75488e+03 | |||
| Coefficient C | -4.70700e+01 | |||
| Temperature range, min. | 248.18 | |||
| Temperature range, max. | 364.65 | |||
| Pvap | 1.33 | kPa | 248.18 | Calculated Property |
| Pvap | 3.05 | kPa | 261.12 | Calculated Property |
| Pvap | 6.36 | kPa | 274.06 | Calculated Property |
| Pvap | 12.23 | kPa | 287.00 | Calculated Property |
| Pvap | 22.02 | kPa | 299.94 | Calculated Property |
| Pvap | 37.42 | kPa | 312.89 | Calculated Property |
| Pvap | 60.54 | kPa | 325.83 | Calculated Property |
| Pvap | 93.86 | kPa | 338.77 | Calculated Property |
| Pvap | 140.19 | kPa | 351.71 | Calculated Property |
| Pvap | 202.65 | kPa | 364.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Hexadiene.
Sources
- 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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