- InChI
- InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
- InChI Key
- DZPCYXCBXGQBRN-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- CC(C)=CC=C(C)C
- Molecular Weight1
- 110.20
- CAS
- 764-13-6
- Other Names
-
- (CH3)2C=CHCH=C(CH3)2
- 2,5-Dimethyl-2,4-hexadiene
- 2,5-Dimethylhexa-2,4-diene
- BIISOBUTENYL
- BIISOCROTYL
- Diisocrotyl
- NSC 10812
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5085.77 ± 0.70 | kJ/mol | NIST |
| ΔfG° | 159.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.20 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | -63.12 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 14.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.92 ± 0.05 | kJ/mol | NIST |
| IE | [7.65; 7.91] | eV |
|
| IE | 7.67 | eV | NIST |
| IE | 7.65 | eV | NIST |
| IE | 7.91 ± 0.04 | eV | NIST |
| IE | 7.67 | eV | NIST |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | [821.00; 862.00] |
|
|
| Inp | 861.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 821.00 | NIST | |
| I | 1032.00 | NIST | |
| Tboil | 390.52 | K | Joback Calculated Property |
| Tc | 578.76 | K | Joback Calculated Property |
| Tfus | [286.81; 287.90] | K |
|
| Tfus | Outlier 287.90 ± 2.00 | K | NIST |
| Tfus | 286.81 ± 0.50 | K | NIST |
| Tfus | 286.81 ± 0.30 | K | NIST |
| Tfus | 287.10 ± 1.00 | K | NIST |
| Tfus | 287.10 ± 1.00 | K | NIST |
| Tfus | 287.09 ± 1.00 | K | NIST |
| Tfus | 287.05 ± 0.50 | K | NIST |
| Tfus | 287.10 ± 1.00 | K | NIST |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.58; 272.88] | J/mol×K | [390.52; 578.76] |
|
| Cp,gas | 203.58 | J/mol×K | 390.52 | Joback Calculated Property |
| Cp,gas | 216.76 | J/mol×K | 421.89 | Joback Calculated Property |
| Cp,gas | 229.24 | J/mol×K | 453.27 | Joback Calculated Property |
| Cp,gas | 241.05 | J/mol×K | 484.64 | Joback Calculated Property |
| Cp,gas | 252.25 | J/mol×K | 516.01 | Joback Calculated Property |
| Cp,gas | 262.84 | J/mol×K | 547.39 | Joback Calculated Property |
| Cp,gas | 272.88 | J/mol×K | 578.76 | Joback Calculated Property |
| Cp,liquid | 459.00 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.32; 202.66] | kPa | [286.80; 430.43] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57350e+01 | |||
| Coefficient B | -3.91653e+03 | |||
| Coefficient C | -5.46880e+01 | |||
| Temperature range, min. | 286.80 | |||
| Temperature range, max. | 430.43 | |||
| Pvap | 0.32 | kPa | 286.80 | Calculated Property |
| Pvap | 0.95 | kPa | 302.76 | Calculated Property |
| Pvap | 2.46 | kPa | 318.72 | Calculated Property |
| Pvap | 5.74 | kPa | 334.68 | Calculated Property |
| Pvap | 12.20 | kPa | 350.64 | Calculated Property |
| Pvap | 24.00 | kPa | 366.59 | Calculated Property |
| Pvap | 44.23 | kPa | 382.55 | Calculated Property |
| Pvap | 77.01 | kPa | 398.51 | Calculated Property |
| Pvap | 127.64 | kPa | 414.47 | Calculated Property |
| Pvap | 202.66 | kPa | 430.43 | Calculated Property |
| Pvap | [2.58; 268.42] | kPa | [313.15; 447.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.50466e+01 | |||
| Coefficient B | -8.42143e+03 | |||
| Coefficient C | -1.18285e+01 | |||
| Coefficient D | 7.84032e-06 | |||
| Temperature range, min. | 313.15 | |||
| Temperature range, max. | 447.15 | |||
| Pvap | 2.58 | kPa | 313.15 | Calculated Property |
| Pvap | 5.44 | kPa | 328.04 | Calculated Property |
| Pvap | 10.61 | kPa | 342.93 | Calculated Property |
| Pvap | 19.36 | kPa | 357.82 | Calculated Property |
| Pvap | 33.32 | kPa | 372.71 | Calculated Property |
| Pvap | 54.58 | kPa | 387.59 | Calculated Property |
| Pvap | 85.60 | kPa | 402.48 | Calculated Property |
| Pvap | 129.30 | kPa | 417.37 | Calculated Property |
| Pvap | 189.00 | kPa | 432.26 | Calculated Property |
| Pvap | 268.42 | kPa | 447.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiene, 2,5-dimethyl-.
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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