- InChI
- InChI=1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6-
- InChI Key
- FHHSSXNRVNXTBG-VOTSOKGWSA-N
- Formula
- C7H14
- SMILES
- CC/C=C(\C)CC
- Molecular Weight1
- 98.19
- CAS
- 3899-36-3
- Other Names
-
- (E)-3-Hexene, 3-methyl
- (E)-3-Methyl-3-hexene
- 3-Methyl-3-hexene, trans
- 3-Methyl-trans-3-hexene
- trans-3-Methyl-3-hexene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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.
- I : 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 | 0.2495 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4642.65 ± 0.88 | kJ/mol | NIST |
| ΔfG° | 79.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.80; 35.80] | kJ/mol |
|
| ΔvapH° | 35.80 | kJ/mol | NIST |
| ΔvapH° | 35.80 | kJ/mol | NIST |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [684.00; 703.40] |
|
|
| Inp | 703.40 | NIST | |
| Inp | 691.20 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 703.20 | NIST | |
| Inp | 703.20 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 691.30 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 703.40 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 691.30 | NIST | |
| I | [731.00; 735.00] |
|
|
| I | 735.00 | NIST | |
| I | 731.00 | NIST | |
| I | 735.00 | NIST | |
| Tboil | [366.67; 366.70] | K |
|
| Tboil | 366.70 | K | NIST |
| Tboil | 366.67 ± 0.20 | K | NIST |
| Tboil | 366.70 ± 0.30 | K | NIST |
| Tc | 550.14 | K | Relay (1.0) Calculated Property |
| Tfus | 131.59 ± 0.03 | K | NIST |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [34.80; 35.30] | kJ/mol | [333.50; 339.00] |
|
| ΔvapH | 35.30 | kJ/mol | 333.50 | NIST |
| ΔvapH | 34.80 | kJ/mol | 339.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.13; 349.61] | 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 | -1.73480e+01 | |||
| Coefficient B | 6.88760e-01 | |||
| Coefficient C | -4.43100e-04 | |||
| Coefficient D | 1.21300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 283.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 349.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [265.47; 392.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41951e+01 | |||
| Coefficient B | -3.11299e+03 | |||
| Coefficient C | -4.16350e+01 | |||
| Temperature range, min. | 265.47 | |||
| Temperature range, max. | 392.05 | |||
| Pvap | 1.33 | kPa | 265.47 | Calculated Property |
| Pvap | 3.03 | kPa | 279.53 | Calculated Property |
| Pvap | 6.30 | kPa | 293.60 | Calculated Property |
| Pvap | 12.10 | kPa | 307.66 | Calculated Property |
| Pvap | 21.78 | kPa | 321.73 | Calculated Property |
| Pvap | 37.05 | kPa | 335.79 | Calculated Property |
| Pvap | 60.05 | kPa | 349.86 | Calculated Property |
| Pvap | 93.32 | kPa | 363.92 | Calculated Property |
| Pvap | 139.76 | kPa | 377.99 | Calculated Property |
| Pvap | 202.63 | kPa | 392.05 | Calculated Property |
| Pvap | [8.22; 99.71] | kPa | [300.15; 366.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.98033e+01 | |||
| Coefficient B | -7.19630e+03 | |||
| Coefficient C | -1.13231e+01 | |||
| Coefficient D | 9.64776e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 300.15 | |||
| Temperature range, max. | 366.15 | |||
| Pvap | 8.22 | kPa | 300.15 | Calculated Property |
| Pvap | 11.57 | kPa | 307.48 | Calculated Property |
| Pvap | 15.97 | kPa | 314.82 | Calculated Property |
| Pvap | 21.66 | kPa | 322.15 | Calculated Property |
| Pvap | 28.90 | kPa | 329.48 | Calculated Property |
| Pvap | 37.99 | kPa | 336.82 | Calculated Property |
| Pvap | 49.24 | kPa | 344.15 | Calculated Property |
| Pvap | 63.02 | kPa | 351.48 | Calculated Property |
| Pvap | 79.71 | kPa | 358.82 | Calculated Property |
| Pvap | 99.71 | kPa | 366.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 3-methyl-, (E)-.
Sources
- KDB Vapor Pressure Data
- 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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