- InChI
- InChI=1S/C8H12/c1-7(2)5-6-8(3)4/h5-6H,1,3H2,2,4H3
- InChI Key
- ZVFFWOKVVPSTAL-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=C(C)C=CC(=C)C
- Molecular Weight1
- 108.18
- CAS
- 4916-63-6
- 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).
- 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 | 0.3227 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 85.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 398.00 ± 4.00 | K | NIST |
| Tc | 578.26 | K | Relay (1.0) Calculated Property |
| Tfus | 247.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.88; 343.91] | 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 | -2.39300e+01 | |||
| Coefficient B | 7.43640e-01 | |||
| Coefficient C | -5.45600e-04 | |||
| Coefficient D | 1.69800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 178.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 282.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 300.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 316.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 330.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [313.32; 417.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.76927e+01 | |||
| Coefficient B | -4.44955e+03 | |||
| Coefficient C | -5.76740e+01 | |||
| Temperature range, min. | 313.32 | |||
| Temperature range, max. | 417.05 | |||
| Pvap | 1.33 | kPa | 313.32 | Calculated Property |
| Pvap | 2.82 | kPa | 324.85 | Calculated Property |
| Pvap | 5.62 | kPa | 336.37 | Calculated Property |
| Pvap | 10.60 | kPa | 347.90 | Calculated Property |
| Pvap | 19.04 | kPa | 359.42 | Calculated Property |
| Pvap | 32.76 | kPa | 370.95 | Calculated Property |
| Pvap | 54.23 | kPa | 382.47 | Calculated Property |
| Pvap | 86.73 | kPa | 394.00 | Calculated Property |
| Pvap | 134.44 | kPa | 405.52 | Calculated Property |
| Pvap | 202.63 | kPa | 417.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-dimethyl-1,3,5-hexatriene.
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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