- InChI
- InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5,7-8H,1,6H2,2-4H3
- InChI Key
- OWWRMMIWAOBBFK-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=CC(C)C(C)CC
- Molecular Weight1
- 112.21
- CAS
- 16745-94-1
- Other Names
-
- 3,4-Dimethyl-1-hexene
- 3,4-Dimethylhex-1-ene
- 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).
- 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° | 99.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.855 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Inp | [737.90; 756.00] |
|
|
| Inp | 744.30 | NIST | |
| Inp | 745.40 | NIST | |
| Inp | 737.90 | NIST | |
| Inp | 739.20 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 755.50 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 756.00 | NIST | |
| Tboil | 378.24 | K | Joback Calculated Property |
| Tc | 552.91 | K | Joback Calculated Property |
| Tfus | 148.16 | K | Joback Calculated Property |
| Vc | 0.453 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.47; 289.32] | J/mol×K | [378.24; 552.91] |
|
| Cp,gas | 217.47 | J/mol×K | 378.24 | Joback Calculated Property |
| Cp,gas | 230.74 | J/mol×K | 407.35 | Joback Calculated Property |
| Cp,gas | 243.47 | J/mol×K | 436.46 | Joback Calculated Property |
| Cp,gas | 255.68 | J/mol×K | 465.57 | Joback Calculated Property |
| Cp,gas | 267.38 | J/mol×K | 494.69 | Joback Calculated Property |
| Cp,gas | 278.59 | J/mol×K | 523.80 | Joback Calculated Property |
| Cp,gas | 289.32 | J/mol×K | 552.91 | Joback Calculated Property |
| η | [0.0002238; 0.0184203] | Pa×s | [148.16; 378.24] |
|
| η | 0.0184203 | Pa×s | 148.16 | Joback Calculated Property |
| η | 0.0041486 | Pa×s | 186.51 | Joback Calculated Property |
| η | 0.0015535 | Pa×s | 224.85 | Joback Calculated Property |
| η | 0.0007745 | Pa×s | 263.20 | Joback Calculated Property |
| η | 0.0004609 | Pa×s | 301.55 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 339.89 | Joback Calculated Property |
| η | 0.0002238 | Pa×s | 378.24 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [281.04; 422.67] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32727e+01 | |||
| Coefficient B | -2.91446e+03 | |||
| Coefficient C | -5.65930e+01 | |||
| Temperature range, min. | 281.04 | |||
| Temperature range, max. | 422.67 | |||
| Pvap | 1.33 | kPa | 281.04 | Calculated Property |
| Pvap | 3.12 | kPa | 296.78 | Calculated Property |
| Pvap | 6.58 | kPa | 312.51 | Calculated Property |
| Pvap | 12.73 | kPa | 328.25 | Calculated Property |
| Pvap | 22.91 | kPa | 343.99 | Calculated Property |
| Pvap | 38.79 | kPa | 359.72 | Calculated Property |
| Pvap | 62.34 | kPa | 375.46 | Calculated Property |
| Pvap | 95.83 | kPa | 391.20 | Calculated Property |
| Pvap | 141.71 | kPa | 406.93 | Calculated Property |
| Pvap | 202.63 | kPa | 422.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexene, 3,4-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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