- InChI
- InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3
- InChI Key
- LGAQJENWWYGFSN-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CC=CC(C)C
- Molecular Weight1
- 84.16
- CAS
- 4461-48-7
- Other Names
-
- 1,1-Dimethyl-2-butene
- 2-Methyl-3-pentene
- 4-Methyl-2-pentene
- 4-Methyl-2-pentene(c,t)
- 4-Methyl-2-pentene,c&t
- 4-methylpent-2-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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.2506 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -72.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [562.00; 607.00] |
|
|
| Inp | 607.00 | NIST | |
| Inp | 562.00 | NIST | |
| Inp | 562.00 | NIST | |
| Tboil | [328.50; 331.95] | K |
|
| Tboil | 328.50 ± 0.40 | K | NIST |
| Tboil | 328.50 ± 0.20 | K | NIST |
| Tboil | 330.92 ± 1.00 | K | NIST |
| Tboil | 331.57 ± 1.00 | K | NIST |
| Tboil | 331.95 ± 0.60 | K | NIST |
| Tc | 489.81 | K | Relay (1.0) Calculated Property |
| Tfus | 142.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.45; 298.83] | 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 | -1.84300e+01 | |||
| Coefficient B | 5.99760e-01 | |||
| Coefficient C | -3.89600e-04 | |||
| Coefficient D | 1.07100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 242.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 258.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0086948; 0.0001558] | Pa×s | [137.30; 362.12] |
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 | -1.12233e+01 | |||
| Coefficient B | 8.89460e+02 | |||
| 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. | 137.30 | |||
| Temperature range, max. | 362.12 | |||
| η | 0.0086948 | Pa×s | 137.30 | Calculated Property |
| η | 0.0032076 | Pa×s | 162.28 | Calculated Property |
| η | 0.0015440 | Pa×s | 187.26 | Calculated Property |
| η | 0.0008828 | Pa×s | 212.24 | Calculated Property |
| η | 0.0005678 | Pa×s | 237.22 | Calculated Property |
| η | 0.0003972 | Pa×s | 262.20 | Calculated Property |
| η | 0.0002957 | Pa×s | 287.18 | Calculated Property |
| η | 0.0002308 | Pa×s | 312.16 | Calculated Property |
| η | 0.0001869 | Pa×s | 337.14 | Calculated Property |
| η | 0.0001558 | Pa×s | 362.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentene, 4-methyl-.
Sources
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