- InChI
- InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3
- InChI Key
- SZFRZEBLZFTODC-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC(C)=C(C)C(C)C
- Molecular Weight1
- 112.21
- CAS
- 565-77-5
- Other Names
-
- (CH3)2CHC(CH3)=C(CH3)2
- 2,3,4-Trimethyl-2-pentene
- 2,3,4-Trimethylpent-2-ene
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.2552 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.30 | kJ/mol | NIST |
| IE | 8.16 ± 0.01 | eV | NIST |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Inp | [764.80; 780.00] |
|
|
| Inp | 779.50 | NIST | |
| Inp | 764.80 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 773.50 | NIST | |
| Inp | 774.80 | NIST | |
| Inp | 765.70 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 765.50 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 779.50 | NIST | |
| Inp | 773.50 | NIST | |
| Inp | 766.00 | NIST | |
| Tboil | [387.00; 389.70] | K |
|
| Tboil | 389.70 | K | NIST |
| Tboil | 389.35 ± 0.40 | K | NIST |
| Tboil | 389.65 ± 0.30 | K | NIST |
| Tboil | 389.55 ± 0.50 | K | NIST |
| Tboil | 387.00 ± 6.00 | K | NIST |
| Tc | 565.13 | K | Relay (1.0) Calculated Property |
| Tfus | 159.77 ± 0.10 | K | NIST |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.18; 401.47] | 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 | -1.96300e+01 | |||
| Coefficient B | 7.89600e-01 | |||
| Coefficient C | -5.03000e-04 | |||
| Coefficient D | 1.34500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 272.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 326.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [283.34; 416.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37872e+01 | |||
| Coefficient B | -3.03972e+03 | |||
| Coefficient C | -5.81740e+01 | |||
| Temperature range, min. | 283.34 | |||
| Temperature range, max. | 416.81 | |||
| Pvap | 1.33 | kPa | 283.34 | Calculated Property |
| Pvap | 3.07 | kPa | 298.17 | Calculated Property |
| Pvap | 6.41 | kPa | 313.00 | Calculated Property |
| Pvap | 12.36 | kPa | 327.83 | Calculated Property |
| Pvap | 22.25 | kPa | 342.66 | Calculated Property |
| Pvap | 37.77 | kPa | 357.49 | Calculated Property |
| Pvap | 61.01 | kPa | 372.32 | Calculated Property |
| Pvap | 94.37 | kPa | 387.15 | Calculated Property |
| Pvap | 140.58 | kPa | 401.98 | Calculated Property |
| Pvap | 202.64 | kPa | 416.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentene, 2,3,4-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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