- InChI
- InChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
- InChI Key
- GHBKCPRDHLITSE-SNAWJCMRSA-N
- Formula
- C7H14
- SMILES
- CC=CCC(C)C
- Molecular Weight1
- 98.19
- CAS
- 7385-82-2
- Other Names
-
- (E)-(CH3)2CHCH2CH=CHCH3
- (E)-5-METHYL-2-HEXENE
- 5-METHYL-TRANS-2-HEXENE
- 5-Methyl-2-hexene, trans
- TRANS-5-METHYL-2-HEXENE
- 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).
- 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° | 85.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.75 | kJ/mol | Joback Calculated Property |
| IE | 8.92 ± 0.01 | eV | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | [659.00; 671.00] |
|
|
| Inp | 668.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 669.30 | NIST | |
| Inp | 661.50 | NIST | |
| Inp | 661.57 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 659.40 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 668.00 | NIST | |
| Tboil | 363.28 | K | Joback Calculated Property |
| Tc | 539.72 | K | Joback Calculated Property |
| Tfus | 148.81 ± 0.02 | K | NIST |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.16; 245.01] | J/mol×K | [363.28; 539.72] |
|
| Cp,gas | 180.16 | J/mol×K | 363.28 | Joback Calculated Property |
| Cp,gas | 192.22 | J/mol×K | 392.69 | Joback Calculated Property |
| Cp,gas | 203.76 | J/mol×K | 422.09 | Joback Calculated Property |
| Cp,gas | 214.79 | J/mol×K | 451.50 | Joback Calculated Property |
| Cp,gas | 225.33 | J/mol×K | 480.91 | Joback Calculated Property |
| Cp,gas | 235.39 | J/mol×K | 510.31 | Joback Calculated Property |
| Cp,gas | 245.01 | J/mol×K | 539.72 | Joback Calculated Property |
| η | [0.0001915; 0.0095853] | Pa×s | [148.57; 363.28] |
|
| η | 0.0095853 | Pa×s | 148.57 | Joback Calculated Property |
| η | 0.0026515 | Pa×s | 184.35 | Joback Calculated Property |
| η | 0.0011138 | Pa×s | 220.14 | Joback Calculated Property |
| η | 0.0005963 | Pa×s | 255.92 | Joback Calculated Property |
| η | 0.0003722 | Pa×s | 291.71 | Joback Calculated Property |
| η | 0.0002575 | Pa×s | 327.50 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 363.28 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [263.19; 386.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39812e+01 | |||
| Coefficient B | -2.90349e+03 | |||
| Coefficient C | -5.11540e+01 | |||
| Temperature range, min. | 263.19 | |||
| Temperature range, max. | 386.05 | |||
| Pvap | 1.33 | kPa | 263.19 | Calculated Property |
| Pvap | 3.05 | kPa | 276.84 | Calculated Property |
| Pvap | 6.36 | kPa | 290.49 | Calculated Property |
| Pvap | 12.24 | kPa | 304.14 | Calculated Property |
| Pvap | 22.02 | kPa | 317.79 | Calculated Property |
| Pvap | 37.43 | kPa | 331.45 | Calculated Property |
| Pvap | 60.55 | kPa | 345.10 | Calculated Property |
| Pvap | 93.87 | kPa | 358.75 | Calculated Property |
| Pvap | 140.19 | kPa | 372.40 | Calculated Property |
| Pvap | 202.64 | kPa | 386.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 5-methyl-, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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