- InChI
- InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
- InChI Key
- WSSSPWUEQFSQQG-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- C=CCC(C)C
- Molecular Weight1
- 84.16
- CAS
- 691-37-2
- Other Names
-
- (CH3)2CHCH2CH=CH2
- 4-Methyl-1-pentene
- 4-Methylpentene-(1)
- 4-methylpent-1-ene
- ISOBUTYLETHENE
- ω : Acentric Factor.
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρc : Critical density (kg/m3).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2620 | KDB | |
| ΔcH°liquid | -3997.82 ± 0.54 | kJ/mol | NIST |
| ΔfG° | 85.04 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 3996.10 | kJ/mol | KDB |
| Δc,netH | 3732.002 | kJ/mol | KDB |
| ΔfH°gas | -49.44 ± 0.67 | kJ/mol | NIST |
| ΔfH°liquid | -78.22 ± 0.64 | kJ/mol | NIST |
| ΔfusH° | 6.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [28.60; 28.80] | kJ/mol |
|
| ΔvapH° | 28.80 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 28.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 28.70 | kJ/mol | NIST |
| ΔvapH° | 28.70 | kJ/mol | NIST |
| ΔvapH° | 28.70 | kJ/mol | NIST |
| IE | [9.44; 9.45] | eV |
|
| IE | 9.45 ± 0.01 | eV | NIST |
| IE | 9.45 ± 0.02 | eV | NIST |
| IE | 9.44 | eV | NIST |
| IE | 9.45 ± 0.00 | eV | NIST |
| log10WS | -3.24 | Aq. Solubility Prediction | |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | [3290.00; 3290.00] | kPa |
|
| Pc | 3290.00 | kPa | KDB |
| Pc | 3290.00 ± 150.00 | kPa | NIST |
| ρc | 238.17 ± 10.10 | kg/m3 | NIST |
| Inp | [546.00; 568.00] |
|
|
| Inp | 556.20 | NIST | |
| Inp | 548.10 | NIST | |
| Inp | 548.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 556.70 | NIST | |
| Inp | 557.10 | NIST | |
| Inp | 556.70 | NIST | |
| Inp | 557.10 | NIST | |
| Inp | 549.40 | NIST | |
| Inp | 550.40 | NIST | |
| Inp | 558.70 | NIST | |
| Inp | 559.20 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | 556.80 | NIST | |
| Inp | 549.70 | NIST | |
| Inp | 550.80 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | 559.60 | NIST | |
| Inp | 559.80 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 560.20 | NIST | |
| Inp | 560.40 | NIST | |
| Inp | 560.70 | NIST | |
| Inp | 555.70 | NIST | |
| Inp | 556.40 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 557.60 | NIST | |
| Inp | 558.40 | NIST | |
| Inp | 559.10 | NIST | |
| Inp | 562.00 | NIST | |
| Inp | 560.90 | NIST | |
| Inp | 559.40 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 556.50 | NIST | |
| Inp | 555.10 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 547.94 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 561.70 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 554.60 | NIST | |
| Inp | 547.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | Outlier 568.00 | NIST | |
| Inp | 553.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 548.00 | NIST | |
| Inp | 546.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 562.00 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 553.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 554.60 | NIST | |
| I | [589.00; 595.00] |
|
|
| I | 595.00 | NIST | |
| I | 589.00 | NIST | |
| I | 595.00 | NIST | |
| Tboil | [326.65; 327.20] | K |
|
| Tboil | 327.00 | K | KDB |
| Tboil | 327.10 | K | NIST |
| Tboil | 326.95 ± 0.50 | K | NIST |
| Tboil | 327.05 ± 0.50 | K | NIST |
| Tboil | 327.04 ± 0.20 | K | NIST |
| Tboil | 327.15 ± 0.50 | K | NIST |
| Tboil | 326.98 ± 0.30 | K | NIST |
| Tboil | 327.10 ± 0.30 | K | NIST |
| Tboil | 327.10 ± 0.30 | K | NIST |
| Tboil | 327.03 ± 0.20 | K | NIST |
| Tboil | 326.95 ± 0.50 | K | NIST |
| Tboil | 326.91 ± 0.20 | K | NIST |
| Tboil | 327.10 ± 0.20 | K | NIST |
| Tboil | 327.10 ± 0.20 | K | NIST |
| Tboil | 326.90 ± 0.50 | K | NIST |
| Tboil | 326.95 ± 0.40 | K | NIST |
| Tboil | 326.90 ± 0.60 | K | NIST |
| Tboil | 327.15 ± 0.40 | K | NIST |
| Tboil | Outlier 326.70 ± 3.00 | K | NIST |
| Tboil | 327.20 ± 0.40 | K | NIST |
| Tboil | 326.90 ± 0.60 | K | NIST |
| Tboil | Outlier 326.65 ± 2.00 | K | NIST |
| Tc | [493.10; 495.00] | K |
|
| Tc | 494.80 | K | KDB |
| Tc | 493.10 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tc | 495.00 ± 2.00 | K | NIST |
| Tfus | [118.16; 168.10] | K |
|
| Tfus | 120.00 | K | KDB |
| Tfus | 119.62 | K | Aq. Solubility Prediction |
| Tfus | Outlier 168.10 ± 0.40 | K | NIST |
| Tfus | 119.20 ± 0.15 | K | NIST |
| Tfus | 119.14 ± 0.50 | K | NIST |
| Tfus | 118.16 ± 0.20 | K | NIST |
| Tfus | 119.11 ± 0.30 | K | NIST |
| Tfus | 119.31 ± 0.30 | K | NIST |
| Tfus | 119.10 ± 0.40 | K | NIST |
| Vc | 0.346 | m3/kmol | KDB |
| Zc | 0.2770980 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.52; 201.16] | J/mol×K | [332.92; 503.71] |
|
| Cp,gas | 145.52 | J/mol×K | 332.92 | Joback Calculated Property |
| Cp,gas | 155.75 | J/mol×K | 361.38 | Joback Calculated Property |
| Cp,gas | 165.59 | J/mol×K | 389.85 | Joback Calculated Property |
| Cp,gas | 175.03 | J/mol×K | 418.31 | Joback Calculated Property |
| Cp,gas | 184.10 | J/mol×K | 446.78 | Joback Calculated Property |
| Cp,gas | 192.81 | J/mol×K | 475.24 | Joback Calculated Property |
| Cp,gas | 201.16 | J/mol×K | 503.71 | Joback Calculated Property |
| η | [0.0002133; 0.0069474] | Pa×s | [140.62; 332.92] |
|
| η | 0.0069474 | Pa×s | 140.62 | Joback Calculated Property |
| η | 0.0022681 | Pa×s | 172.67 | Joback Calculated Property |
| η | 0.0010513 | Pa×s | 204.72 | Joback Calculated Property |
| η | 0.0006001 | Pa×s | 236.77 | Joback Calculated Property |
| η | 0.0003915 | Pa×s | 268.82 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 300.87 | Joback Calculated Property |
| η | 0.0002133 | Pa×s | 332.92 | Joback Calculated Property |
| ΔfusH | 4.93 | kJ/mol | 118.90 | NIST |
| ΔvapH | [24.90; 30.10] | kJ/mol | [299.00; 335.00] |
|
| ΔvapH | 30.10 | kJ/mol | 299.00 | NIST |
| ΔvapH | 27.07 | kJ/mol | 327.00 | KDB |
| ΔvapH | 27.40 ± 0.30 | kJ/mol | 335.00 | NIST |
| ΔvapH | 26.20 ± 0.40 | kJ/mol | 335.00 | NIST |
| ΔvapH | 24.90 ± 0.50 | kJ/mol | 335.00 | NIST |
| n0 | 1.37974 | 298.15 | KDB | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [234.66; 350.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41104e+01 | |||
| Coefficient B | -2.79799e+03 | |||
| Coefficient C | -3.22380e+01 | |||
| Temperature range, min. | 234.66 | |||
| Temperature range, max. | 350.23 | |||
| Pvap | 1.33 | kPa | 234.66 | Calculated Property |
| Pvap | 3.04 | kPa | 247.50 | Calculated Property |
| Pvap | 6.32 | kPa | 260.34 | Calculated Property |
| Pvap | 12.16 | kPa | 273.18 | Calculated Property |
| Pvap | 21.88 | kPa | 286.02 | Calculated Property |
| Pvap | 37.20 | kPa | 298.87 | Calculated Property |
| Pvap | 60.25 | kPa | 311.71 | Calculated Property |
| Pvap | 93.54 | kPa | 324.55 | Calculated Property |
| Pvap | 139.93 | kPa | 337.39 | Calculated Property |
| Pvap | 202.64 | kPa | 350.23 | Calculated Property |
| Pvap | [1.64e-08; 3285.71] | kPa | [119.51; 496.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.91163e+01 | |||
| Coefficient B | -5.94790e+03 | |||
| Coefficient C | -9.91273e+00 | |||
| Coefficient D | 1.01493e-05 | |||
| Temperature range, min. | 119.51 | |||
| Temperature range, max. | 496.00 | |||
| Pvap | 1.64e-08 | kPa | 119.51 | Calculated Property |
| Pvap | 3.80e-04 | kPa | 161.34 | Calculated Property |
| Pvap | 0.09 | kPa | 203.17 | Calculated Property |
| Pvap | 2.50 | kPa | 245.01 | Calculated Property |
| Pvap | 22.65 | kPa | 286.84 | Calculated Property |
| Pvap | 106.81 | kPa | 328.67 | Calculated Property |
| Pvap | 338.16 | kPa | 370.50 | Calculated Property |
| Pvap | 832.25 | kPa | 412.34 | Calculated Property |
| Pvap | 1742.03 | kPa | 454.17 | Calculated Property |
| Pvap | 3285.71 | kPa | 496.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 4-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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