- InChI
- InChI=1S/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3
- InChI Key
- UYWLQEPMPVDASH-UHFFFAOYSA-N
- Formula
- C10H20
- SMILES
- CC(C)(C)C=CC(C)(C)C
- Molecular Weight1
- 140.27
- CAS
- 22808-06-6
- Other Names
-
- 2,2,5,5-tetramethylhex-3-ene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.3036 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.635 | Crippen Calculated Property | |
| McVol | 147.460 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Tboil | [396.40; 398.40] | K |
|
| Tboil | 398.40 ± 1.00 | K | NIST |
| Tboil | 398.16 ± 0.10 | K | NIST |
| Tboil | 396.40 ± 1.50 | K | NIST |
| Tc | 576.67 | K | Relay (1.0) Calculated Property |
| Tfus | [268.40; 268.80] | K |
|
| Tfus | 268.80 ± 1.00 | K | NIST |
| Tfus | 268.40 ± 0.10 | K | NIST |
| Vc | 0.558 | 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 |
|---|---|---|---|---|
| ΔfusH | 10.25 | kJ/mol | 268.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.70; 507.59] | 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 | -6.93300e+01 | |||
| Coefficient B | 1.22552e+00 | |||
| Coefficient C | -9.47600e-04 | |||
| Coefficient D | 2.99000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 308.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 418.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 445.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 468.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 488.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 507.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022917; 0.0002037] | Pa×s | [268.60; 433.44] |
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 | -1.24424e+01 | |||
| Coefficient B | 1.70936e+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. | 268.60 | |||
| Temperature range, max. | 433.44 | |||
| η | 0.0022917 | Pa×s | 268.60 | Calculated Property |
| η | 0.0015266 | Pa×s | 286.92 | Calculated Property |
| η | 0.0010677 | Pa×s | 305.23 | Calculated Property |
| η | 0.0007776 | Pa×s | 323.55 | Calculated Property |
| η | 0.0005859 | Pa×s | 341.86 | Calculated Property |
| η | 0.0004544 | Pa×s | 360.18 | Calculated Property |
| η | 0.0003611 | Pa×s | 378.50 | Calculated Property |
| η | 0.0002932 | Pa×s | 396.81 | Calculated Property |
| η | 0.0002424 | Pa×s | 415.13 | Calculated Property |
| η | 0.0002037 | Pa×s | 433.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 2,2,5,5-tetramethyl-.
Sources
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