- InChI
- InChI=1S/C8H14/c1-5-7-8(3,4)6-2/h5-6H,1-2,7H2,3-4H3
- InChI Key
- OWRACTVEYJLPRK-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=CCC(C)(C)C=C
- Molecular Weight1
- 110.20
- CAS
- 24253-25-6
- Other Names
-
- 3,3-Dimethyl-1,5-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).
- 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 | 0.2196 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.775 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| Tboil | 374.80 ± 2.00 | K | NIST |
| Tc | 554.06 | K | Relay (1.0) Calculated Property |
| Tfus | 137.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 35.20 | kJ/mol | 332.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.11; 376.50] | 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 | -3.48390e+01 | |||
| Coefficient B | 8.49640e-01 | |||
| Coefficient C | -6.29000e-04 | |||
| Coefficient D | 1.90700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 231.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 311.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 330.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 347.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 362.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 376.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0080123; 0.0002323] | Pa×s | [178.82; 388.20] |
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 | -1.13917e+01 | |||
| Coefficient B | 1.17394e+03 | |||
| 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. | 178.82 | |||
| Temperature range, max. | 388.20 | |||
| η | 0.0080123 | Pa×s | 178.82 | Calculated Property |
| η | 0.0037630 | Pa×s | 202.08 | Calculated Property |
| η | 0.0020657 | Pa×s | 225.35 | Calculated Property |
| η | 0.0012687 | Pa×s | 248.61 | Calculated Property |
| η | 0.0008470 | Pa×s | 271.88 | Calculated Property |
| η | 0.0006027 | Pa×s | 295.14 | Calculated Property |
| η | 0.0004507 | Pa×s | 318.41 | Calculated Property |
| η | 0.0003506 | Pa×s | 341.67 | Calculated Property |
| η | 0.0002816 | Pa×s | 364.93 | Calculated Property |
| η | 0.0002323 | Pa×s | 388.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [260.93; 457.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.19667e+01 | |||
| Coefficient B | -3.04739e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 260.93 | |||
| Temperature range, max. | 457.89 | |||
| Pvap | 1.33 | kPa | 260.93 | Calculated Property |
| Pvap | 3.29 | kPa | 282.81 | Calculated Property |
| Pvap | 7.14 | kPa | 304.70 | Calculated Property |
| Pvap | 13.95 | kPa | 326.58 | Calculated Property |
| Pvap | 25.07 | kPa | 348.47 | Calculated Property |
| Pvap | 42.03 | kPa | 370.35 | Calculated Property |
| Pvap | 66.52 | kPa | 392.24 | Calculated Property |
| Pvap | 100.29 | kPa | 414.12 | Calculated Property |
| Pvap | 145.09 | kPa | 436.01 | Calculated Property |
| Pvap | 202.64 | kPa | 457.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-hexadiene, 3,3-dimethyl-.
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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