- InChI
- InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3
- InChI Key
- BEQGRRJLJLVQAQ-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CC=C(C)CC
- Molecular Weight1
- 84.16
- CAS
- 922-61-2
- Other Names
-
- 2-Pentene, 3-methyl-
- 3-Methyl-2-pentene
- 3-Methyl-2-pentene,c&t
- 3-methylpent-2-ene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor 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 | 0.2317 | Relay (1.0) Calculated Property | |
| PAff | 812.90 | kJ/mol | NIST |
| BasG | 784.00 | kJ/mol | NIST |
| ΔfG° | 71.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.363 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Inp | [566.00; 617.00] |
|
|
| Inp | 610.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 589.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 610.00 | NIST | |
| Inp | Outlier 566.00 | NIST | |
| Inp | 617.00 | NIST | |
| Tboil | [309.15; 343.00] | K |
|
| Tboil | 342.20 | K | NIST |
| Tboil | 340.65 ± 4.00 | K | NIST |
| Tboil | 341.00 ± 0.60 | K | NIST |
| Tboil | 341.00 ± 4.00 | K | NIST |
| Tboil | Outlier 309.15 ± 0.50 | K | NIST |
| Tboil | 342.00 ± 3.00 | K | NIST |
| Tboil | 343.00 ± 6.00 | K | NIST |
| Tc | 511.97 | K | Relay (1.0) Calculated Property |
| Tfus | 136.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.346 | 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 | [118.91; 298.02] | 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 | -1.64390e+01 | |||
| Coefficient B | 5.93760e-01 | |||
| Coefficient C | -3.88700e-04 | |||
| Coefficient D | 1.09400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 241.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 257.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 285.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [250.34; 363.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48533e+01 | |||
| Coefficient B | -3.12257e+03 | |||
| Coefficient C | -3.59620e+01 | |||
| Temperature range, min. | 250.34 | |||
| Temperature range, max. | 363.21 | |||
| Pvap | 1.33 | kPa | 250.34 | Calculated Property |
| Pvap | 2.98 | kPa | 262.88 | Calculated Property |
| Pvap | 6.13 | kPa | 275.42 | Calculated Property |
| Pvap | 11.73 | kPa | 287.96 | Calculated Property |
| Pvap | 21.11 | kPa | 300.50 | Calculated Property |
| Pvap | 36.01 | kPa | 313.05 | Calculated Property |
| Pvap | 58.67 | kPa | 325.59 | Calculated Property |
| Pvap | 91.78 | kPa | 338.13 | Calculated Property |
| Pvap | 138.54 | kPa | 350.67 | Calculated Property |
| Pvap | 202.64 | kPa | 363.21 | Calculated Property |
Similar Compounds
Find more compounds similar to CH3CH=C(CH3)C2H5.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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