- InChI
- InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5-6H2,1-4H3
- InChI Key
- RGYAVZGBAJFMIZ-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CCCC(C)=C(C)C
- Molecular Weight1
- 112.21
- CAS
- 7145-20-2
- Other Names
-
- 2,3-Dimethyl-2-hexene
- 2,3-Dimethylhex-2-ene
- C2H5CH2C(CH3)=C(CH3)2
- 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 |
|---|---|---|---|
| ΔfG° | 79.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| IE | 8.19 ± 0.01 | eV | NIST |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [740.00; 814.00] |
|
|
| Inp | 800.20 | NIST | |
| Inp | 787.40 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 795.20 | NIST | |
| Inp | 796.20 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | Outlier 740.00 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | Outlier 741.00 | NIST | |
| Inp | 788.50 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 790.00 | NIST | |
| Tboil | [394.92; 395.01] | K |
|
| Tboil | 395.01 ± 0.07 | K | NIST |
| Tboil | 395.01 ± 0.30 | K | NIST |
| Tboil | 394.92 ± 0.40 | K | NIST |
| Tboil | 395.00 ± 0.40 | K | NIST |
| Tboil | 395.00 ± 0.40 | K | NIST |
| Tc | 565.14 | K | Joback Calculated Property |
| Tfus | [155.00; 158.15] | K |
|
| Tfus | 158.08 ± 0.06 | K | NIST |
| Tfus | 158.09 ± 0.04 | K | NIST |
| Tfus | 158.15 ± 0.03 | K | NIST |
| Tfus | 155.00 ± 0.80 | K | NIST |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.01; 289.68] | J/mol×K | [386.36; 565.14] |
|
| Cp,gas | 218.01 | J/mol×K | 386.36 | Joback Calculated Property |
| Cp,gas | 231.36 | J/mol×K | 416.16 | Joback Calculated Property |
| Cp,gas | 244.11 | J/mol×K | 445.95 | Joback Calculated Property |
| Cp,gas | 256.30 | J/mol×K | 475.75 | Joback Calculated Property |
| Cp,gas | 267.94 | J/mol×K | 505.55 | Joback Calculated Property |
| Cp,gas | 279.06 | J/mol×K | 535.34 | Joback Calculated Property |
| Cp,gas | 289.68 | J/mol×K | 565.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [287.88; 422.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39754e+01 | |||
| Coefficient B | -3.16840e+03 | |||
| Coefficient C | -5.64000e+01 | |||
| Temperature range, min. | 287.88 | |||
| Temperature range, max. | 422.10 | |||
| Pvap | 1.33 | kPa | 287.88 | Calculated Property |
| Pvap | 3.05 | kPa | 302.79 | Calculated Property |
| Pvap | 6.36 | kPa | 317.71 | Calculated Property |
| Pvap | 12.24 | kPa | 332.62 | Calculated Property |
| Pvap | 22.03 | kPa | 347.53 | Calculated Property |
| Pvap | 37.44 | kPa | 362.45 | Calculated Property |
| Pvap | 60.57 | kPa | 377.36 | Calculated Property |
| Pvap | 93.89 | kPa | 392.27 | Calculated Property |
| Pvap | 140.21 | kPa | 407.19 | Calculated Property |
| Pvap | 202.65 | kPa | 422.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 2,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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