- InChI
- InChI=1S/C8H14/c1-5-7(3)8(4)6-2/h5-8H,1-2H2,3-4H3
- InChI Key
- BKVALJGAKNDDJJ-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=CC(C)C(C)C=C
- Molecular Weight1
- 110.20
- CAS
- 4894-63-7
- 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).
- 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).
- 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 | 0.2505 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.631 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Tboil | 374.95 ± 0.50 | K | NIST |
| Tc | 534.81 | K | Relay (1.0) Calculated Property |
| Tfus | 182.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.94; 376.11] | 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 | -1.37300e+01 | |||
| Coefficient B | 7.35640e-01 | |||
| Coefficient C | -4.63600e-04 | |||
| Coefficient D | 1.17800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 228.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 328.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 362.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 376.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0145037; 0.0001991] | Pa×s | [146.40; 387.52] |
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 | -1.11257e+01 | |||
| Coefficient B | 1.00904e+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. | 146.40 | |||
| Temperature range, max. | 387.52 | |||
| η | 0.0145037 | Pa×s | 146.40 | Calculated Property |
| η | 0.0049939 | Pa×s | 173.19 | Calculated Property |
| η | 0.0022881 | Pa×s | 199.98 | Calculated Property |
| η | 0.0012606 | Pa×s | 226.77 | Calculated Property |
| η | 0.0007878 | Pa×s | 253.56 | Calculated Property |
| η | 0.0005386 | Pa×s | 280.36 | Calculated Property |
| η | 0.0003935 | Pa×s | 307.15 | Calculated Property |
| η | 0.0003023 | Pa×s | 333.94 | Calculated Property |
| η | 0.0002415 | Pa×s | 360.73 | Calculated Property |
| η | 0.0001991 | Pa×s | 387.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadiene, 3,4-dimethyl-.
Sources
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