- InChI
- InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h8H,3,5-6H2,1-2,4H3
- InChI Key
- HPHHYSWOBXEIRG-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(C)C(CC)CC
- Molecular Weight1
- 112.21
- CAS
- 19780-66-6
- Other Names
-
- 2-Methyl-3-ethyl-1-pentene
- 3-ETHYL-2-METHYL-1-PENTENE
- 3-Ethyl-2-methylpent-1-ene
- 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).
- 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 | -5296.99 ± 0.75 | kJ/mol | NIST |
| ΔfG° | 93.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.50; 37.70] | kJ/mol |
|
| ΔvapH° | 37.70 | kJ/mol | NIST |
| ΔvapH° | 37.50 | kJ/mol | NIST |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [735.00; 762.00] |
|
|
| Inp | 754.30 | NIST | |
| Inp | 746.70 | NIST | |
| Inp | 735.19 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | Outlier 762.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 754.30 | NIST | |
| Inp | 737.00 | NIST | |
| Tboil | [382.41; 382.70] | K |
|
| Tboil | 382.70 | K | NIST |
| Tboil | 382.41 ± 0.20 | K | NIST |
| Tboil | 382.42 ± 0.20 | K | NIST |
| Tc | 552.61 | K | Joback Calculated Property |
| Tfus | [160.20; 160.25] | K |
|
| Tfus | 160.20 ± 0.06 | K | NIST |
| Tfus | 160.20 ± 0.04 | K | NIST |
| Tfus | 160.25 ± 0.02 | K | NIST |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.59; 288.55] | J/mol×K | [378.56; 552.61] |
|
| Cp,gas | 217.59 | J/mol×K | 378.56 | Joback Calculated Property |
| Cp,gas | 230.69 | J/mol×K | 407.57 | Joback Calculated Property |
| Cp,gas | 243.26 | J/mol×K | 436.58 | Joback Calculated Property |
| Cp,gas | 255.31 | J/mol×K | 465.59 | Joback Calculated Property |
| Cp,gas | 266.87 | J/mol×K | 494.59 | Joback Calculated Property |
| Cp,gas | 277.94 | J/mol×K | 523.60 | Joback Calculated Property |
| Cp,gas | 288.55 | J/mol×K | 552.61 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [277.58; 408.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42426e+01 | |||
| Coefficient B | -3.26001e+03 | |||
| Coefficient C | -4.39730e+01 | |||
| Temperature range, min. | 277.58 | |||
| Temperature range, max. | 408.99 | |||
| Pvap | 1.33 | kPa | 277.58 | Calculated Property |
| Pvap | 3.03 | kPa | 292.18 | Calculated Property |
| Pvap | 6.29 | kPa | 306.78 | Calculated Property |
| Pvap | 12.07 | kPa | 321.38 | Calculated Property |
| Pvap | 21.73 | kPa | 335.98 | Calculated Property |
| Pvap | 36.98 | kPa | 350.59 | Calculated Property |
| Pvap | 59.96 | kPa | 365.19 | Calculated Property |
| Pvap | 93.21 | kPa | 379.79 | Calculated Property |
| Pvap | 139.68 | kPa | 394.39 | Calculated Property |
| Pvap | 202.66 | kPa | 408.99 | Calculated Property |
| Pvap | [6.84; 100.61] | kPa | [308.15; 382.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.70103e+01 | |||
| Coefficient B | -7.29871e+03 | |||
| Coefficient C | -1.08574e+01 | |||
| Coefficient D | 8.59909e-06 | |||
| Temperature range, min. | 308.15 | |||
| Temperature range, max. | 382.15 | |||
| Pvap | 6.84 | kPa | 308.15 | Calculated Property |
| Pvap | 9.94 | kPa | 316.37 | Calculated Property |
| Pvap | 14.12 | kPa | 324.59 | Calculated Property |
| Pvap | 19.64 | kPa | 332.82 | Calculated Property |
| Pvap | 26.82 | kPa | 341.04 | Calculated Property |
| Pvap | 35.98 | kPa | 349.26 | Calculated Property |
| Pvap | 47.51 | kPa | 357.48 | Calculated Property |
| Pvap | 61.82 | kPa | 365.71 | Calculated Property |
| Pvap | 79.36 | kPa | 373.93 | Calculated Property |
| Pvap | 100.61 | kPa | 382.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 3-ethyl-2-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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