- InChI
- InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+
- InChI Key
- KNCMKWVOMRUHKZ-AATRIKPKSA-N
- Formula
- C8H16
- SMILES
- CC(C)C=CC(C)C
- Molecular Weight1
- 112.21
- CAS
- 692-70-6
- Other Names
-
- (3E)-2,5-Dimethyl-3-hexene
- (E)-(CH3)2CHCH=CHCH(CH3)2
- (E)-2,5-DIMETHYL-3-HEXENE
- (E)-2,5-Dimethylhex-3-ene
- 2,5-DIMETHYL-TRANS-3-HEXENE
- TRANS-2,5-DIMETHYL-3-HEXENE
- trans-Diisopropylethylene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | [-5275.50; -5265.56] | kJ/mol |
|
| ΔcH°liquid | -5275.50 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -5265.56 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 91.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.50 | kJ/mol | NIST |
| ΔfH°liquid | -159.30 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.50 | kJ/mol | NIST |
| IE | 8.84 ± 0.01 | eV | NIST |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.855 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | [694.50; 713.60] |
|
|
| Inp | Outlier 713.60 | NIST | |
| Inp | 695.50 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 703.70 | NIST | |
| Inp | 703.20 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 694.50 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 713.00 | NIST | |
| Tboil | [375.19; 375.24] | K |
|
| Tboil | 375.19 ± 0.20 | K | NIST |
| Tboil | 375.24 ± 0.30 | K | NIST |
| Tc | 565.78 | K | Joback Calculated Property |
| Tfus | [177.92; 177.95] | K |
|
| Tfus | 177.92 ± 0.04 | K | NIST |
| Tfus | 177.93 ± 0.03 | K | NIST |
| Tfus | 177.95 ± 0.02 | K | NIST |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.83; 291.30] | J/mol×K | [385.72; 565.78] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 270 280 290 400 450 500 550 | ||||
| Cp,gas | 217.83 | J/mol×K | 385.72 | Joback Calculated Property |
| Cp,gas | 231.54 | J/mol×K | 415.73 | Joback Calculated Property |
| Cp,gas | 244.62 | J/mol×K | 445.74 | Joback Calculated Property |
| Cp,gas | 257.12 | J/mol×K | 475.75 | Joback Calculated Property |
| Cp,gas | 269.06 | J/mol×K | 505.76 | Joback Calculated Property |
| Cp,gas | 280.44 | J/mol×K | 535.77 | Joback Calculated Property |
| Cp,gas | 291.30 | J/mol×K | 565.78 | Joback Calculated Property |
| η | [0.0001887; 0.0231611] | Pa×s | [144.84; 385.72] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 200 300 | ||||
| η | 0.0231611 | Pa×s | 144.84 | Joback Calculated Property |
| η | 0.0043531 | Pa×s | 184.99 | Joback Calculated Property |
| η | 0.0014851 | Pa×s | 225.13 | Joback Calculated Property |
| η | 0.0007016 | Pa×s | 265.28 | Joback Calculated Property |
| η | 0.0004036 | Pa×s | 305.43 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 345.57 | Joback Calculated Property |
| η | 0.0001887 | Pa×s | 385.72 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [274.63; 400.82] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37940e+01 | |||
| Coefficient B | -2.87756e+03 | |||
| Coefficient C | -6.15820e+01 | |||
| Temperature range, min. | 274.63 | |||
| Temperature range, max. | 400.82 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 274.63 | Calculated Property |
| Pvap | 3.07 | kPa | 288.65 | Calculated Property |
| Pvap | 6.41 | kPa | 302.67 | Calculated Property |
| Pvap | 12.36 | kPa | 316.69 | Calculated Property |
| Pvap | 22.24 | kPa | 330.71 | Calculated Property |
| Pvap | 37.77 | kPa | 344.74 | Calculated Property |
| Pvap | 61.00 | kPa | 358.76 | Calculated Property |
| Pvap | 94.37 | kPa | 372.78 | Calculated Property |
| Pvap | 140.59 | kPa | 386.80 | Calculated Property |
| Pvap | 202.67 | kPa | 400.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 2,5-dimethyl-, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.