- InChI
- InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3
- InChI Key
- ADHCYQWFCLQBFG-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- C=C(CC)C(C)C
- Molecular Weight1
- 98.19
- CAS
- 7357-93-9
- Other Names
-
- 2-ETHYL-3-METHYL-1-BUTENE
- 2-ETHYL-3-METHYLBUT-1-ENE
- 3-Methyl-2-ethyl-1-butene
- 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).
- 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 | -4641.30 ± 1.30 | kJ/mol | NIST |
| ΔfG° | 84.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.30; 34.40] | kJ/mol |
|
| ΔvapH° | 34.30 | kJ/mol | NIST |
| ΔvapH° | 34.40 | kJ/mol | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [652.00; 667.60] |
|
|
| Inp | 665.80 | NIST | |
| Inp | 658.30 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 662.70 | NIST | |
| Inp | 667.60 | NIST | |
| Inp | 658.60 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | Outlier 652.00 | NIST | |
| Inp | 658.60 | NIST | |
| Inp | 665.80 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 660.00 | NIST | |
| Tboil | 355.68 | K | Joback Calculated Property |
| Tc | 530.11 | K | Joback Calculated Property |
| Tfus | 137.93 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.34; 244.42] | J/mol×K | [355.68; 530.11] |
|
| Cp,gas | 180.34 | J/mol×K | 355.68 | Joback Calculated Property |
| Cp,gas | 192.16 | J/mol×K | 384.75 | Joback Calculated Property |
| Cp,gas | 203.51 | J/mol×K | 413.82 | Joback Calculated Property |
| Cp,gas | 214.40 | J/mol×K | 442.89 | Joback Calculated Property |
| Cp,gas | 224.84 | J/mol×K | 471.96 | Joback Calculated Property |
| Cp,gas | 234.84 | J/mol×K | 501.04 | Joback Calculated Property |
| Cp,gas | 244.42 | J/mol×K | 530.11 | Joback Calculated Property |
| ΔvapH | [33.80; 34.40] | kJ/mol | [325.00; 342.00] |
|
| ΔvapH | 34.40 | kJ/mol | 325.00 | NIST |
| ΔvapH | 33.80 | kJ/mol | 342.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [261.55; 386.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37547e+01 | |||
| Coefficient B | -2.82559e+03 | |||
| Coefficient C | -5.17310e+01 | |||
| Temperature range, min. | 261.55 | |||
| Temperature range, max. | 386.39 | |||
| Pvap | 1.33 | kPa | 261.55 | Calculated Property |
| Pvap | 3.07 | kPa | 275.42 | Calculated Property |
| Pvap | 6.43 | kPa | 289.29 | Calculated Property |
| Pvap | 12.39 | kPa | 303.16 | Calculated Property |
| Pvap | 22.29 | kPa | 317.03 | Calculated Property |
| Pvap | 37.84 | kPa | 330.91 | Calculated Property |
| Pvap | 61.10 | kPa | 344.78 | Calculated Property |
| Pvap | 94.47 | kPa | 358.65 | Calculated Property |
| Pvap | 140.67 | kPa | 372.52 | Calculated Property |
| Pvap | 202.65 | kPa | 386.39 | Calculated Property |
| Pvap | [6.87; 100.24] | kPa | [290.15; 359.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.13750e+01 | |||
| Coefficient B | -7.08570e+03 | |||
| Coefficient C | -1.16232e+01 | |||
| Coefficient D | 1.04615e-05 | |||
| Temperature range, min. | 290.15 | |||
| Temperature range, max. | 359.15 | |||
| Pvap | 6.87 | kPa | 290.15 | Calculated Property |
| Pvap | 9.97 | kPa | 297.82 | Calculated Property |
| Pvap | 14.15 | kPa | 305.48 | Calculated Property |
| Pvap | 19.67 | kPa | 313.15 | Calculated Property |
| Pvap | 26.83 | kPa | 320.82 | Calculated Property |
| Pvap | 35.96 | kPa | 328.48 | Calculated Property |
| Pvap | 47.45 | kPa | 336.15 | Calculated Property |
| Pvap | 61.69 | kPa | 343.82 | Calculated Property |
| Pvap | 79.13 | kPa | 351.48 | Calculated Property |
| Pvap | 100.24 | kPa | 359.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 2-ethyl-3-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.