- InChI
- InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3
- InChI Key
- VFZIUYUUQFYZBR-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC(C)=CCC(C)C
- Molecular Weight1
- 112.21
- CAS
- 3404-78-2
- Other Names
-
- 2,5-Dimethyl-2-hexene
- 2,5-Dimethylhex-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 | 0.3075 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [749.50; 768.00] |
|
|
| Inp | 762.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | Outlier 768.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 749.80 | NIST | |
| Inp | 750.50 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 749.50 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 751.00 | NIST | |
| Tboil | 385.65 ± 4.00 | K | NIST |
| Tc | 553.66 | K | Relay (1.0) Calculated Property |
| Tfus | 162.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.03; 401.74] | 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 | -1.99390e+01 | |||
| Coefficient B | 7.89680e-01 | |||
| Coefficient C | -5.00700e-04 | |||
| Coefficient D | 1.32700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 272.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 326.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [281.98; 412.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38144e+01 | |||
| Coefficient B | -2.97787e+03 | |||
| Coefficient C | -6.18290e+01 | |||
| Temperature range, min. | 281.98 | |||
| Temperature range, max. | 412.05 | |||
| Pvap | 1.33 | kPa | 281.98 | Calculated Property |
| Pvap | 3.07 | kPa | 296.43 | Calculated Property |
| Pvap | 6.41 | kPa | 310.88 | Calculated Property |
| Pvap | 12.35 | kPa | 325.34 | Calculated Property |
| Pvap | 22.22 | kPa | 339.79 | Calculated Property |
| Pvap | 37.73 | kPa | 354.24 | Calculated Property |
| Pvap | 60.96 | kPa | 368.69 | Calculated Property |
| Pvap | 94.32 | kPa | 383.15 | Calculated Property |
| Pvap | 140.55 | kPa | 397.60 | Calculated Property |
| Pvap | 202.66 | kPa | 412.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 2,5-dimethyl-.
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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