- InChI
- InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
- InChI Key
- YHQXBTXEYZIYOV-UHFFFAOYSA-N
- Formula
- C5H10
- SMILES
- C=CC(C)C
- Molecular Weight1
- 70.13
- CAS
- 563-45-1
- Other Names
-
- (CH3)2CHCH=CH2
- .alpha.-isoamylene
- 2-Methyl-3-butene
- 3,3-dimethylpropene
- 3-Methyl-1-butene
- 3-Methylbutene-1
- 3-methylbut-1-ene
- ISOPENTENE
- ISOPROPYLETHYLENE
- UN 2371
- UN 2561
- VINYLISOPROPYL
- isopropylethene
- «alpha»-Isoamylene
- «alpha»-Isoamylene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2090 | KDB | |
| ΔcH°liquid | -3345.10 ± 0.54 | kJ/mol | NIST |
| ΔfG° | 74.82 | kJ/mol | KDB |
| Δc,grossH | 3343.31 | kJ/mol | KDB |
| Δc,netH | 3123.230 | kJ/mol | KDB |
| ΔfH°gas | [-28.97; -25.50] | kJ/mol |
|
| ΔfH°gas | -28.97 | kJ/mol | KDB |
| ΔfH°gas | -25.50 | kJ/mol | NIST |
| ΔfH°liquid | -51.60 ± 0.62 | kJ/mol | NIST |
| ΔfusH° | 3.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.90 | kJ/mol | NIST |
| IE | [9.50; 9.60] | eV |
|
| IE | 9.52 ± 0.01 | eV | NIST |
| IE | 9.53 ± 0.00 | eV | NIST |
| IE | 9.52 | eV | NIST |
| IE | Outlier 9.60 ± 0.03 | eV | NIST |
| IE | 9.52 | eV | NIST |
| IE | 9.51 ± 0.03 | eV | NIST |
| IE | 9.50 ± 0.10 | eV | NIST |
| log10WS | [-2.73; -2.73] |
|
|
| log10WS | -2.73 | Aq. Sol... | |
| log10WS | -2.73 | Estimat... | |
| logPoct/wat | 1.828 | Crippen Calculated Property | |
| McVol | 77.010 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 4 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | [3530.00; 3530.00] | kPa |
|
| Pc | 3530.00 | kPa | KDB |
| Pc | 3530.00 ± 30.00 | kPa | NIST |
| ρc | 230.04 ± 2.10 | kg/m3 | NIST |
| Inp | [444.00; 475.11] |
|
|
| Inp | 457.10 | NIST | |
| Inp | 450.10 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 457.00 | NIST | |
| Inp | 457.00 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 450.60 | NIST | |
| Inp | 450.20 | NIST | |
| Inp | 450.70 | NIST | |
| Inp | 449.80 | NIST | |
| Inp | Outlier 475.11 | NIST | |
| Inp | 451.00 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | Outlier 471.10 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 451.00 | NIST | |
| Inp | 449.45 | NIST | |
| Inp | Outlier 472.00 | NIST | |
| Inp | 449.00 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 452.00 | NIST | |
| Inp | 452.00 | NIST | |
| Inp | 460.00 | NIST | |
| Inp | 454.00 | NIST | |
| Inp | 448.00 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 461.20 | NIST | |
| Inp | 462.00 | NIST | |
| Inp | 451.10 | NIST | |
| Inp | 445.14 | NIST | |
| Inp | 445.18 | NIST | |
| Inp | 445.00 | NIST | |
| Inp | 449.90 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 449.00 | NIST | |
| Inp | Outlier 473.00 | NIST | |
| Inp | 453.00 | NIST | |
| Inp | 458.00 | NIST | |
| Inp | 445.00 | NIST | |
| Inp | 457.00 | NIST | |
| Inp | 444.00 | NIST | |
| Inp | 450.00 | NIST | |
| Inp | 452.00 | NIST | |
| Inp | 451.00 | NIST | |
| Inp | 461.00 | NIST | |
| Inp | 455.00 | NIST | |
| Inp | 453.00 | NIST | |
| Inp | 457.00 | NIST | |
| Inp | 457.00 | NIST | |
| Inp | 459.00 | NIST | |
| I | [487.00; 490.00] |
|
|
| I | 490.00 | NIST | |
| I | 487.00 | NIST | |
| S°liquid | [253.30; 253.50] | J/mol×K |
|
| S°liquid | 253.50 | J/mol×K | NIST |
| S°liquid | 253.30 | J/mol×K | NIST |
| Tboil | 293.30 | K | KDB |
| Tc | [451.38; 452.70] | K |
|
| Tc | 452.70 | K | KDB |
| Tc | 451.38 | K | Vapor P... |
| Tc | 452.70 ± 0.30 | K | NIST |
| Tfus | [104.70; 104.90] | K |
|
| Tfus | 104.70 | K | KDB |
| Tfus | 104.90 | K | Aq. Sol... |
| Ttriple | [104.71; 104.72] | K |
|
| Ttriple | 104.71 ± 0.02 | K | NIST |
| Ttriple | 104.72 ± 0.02 | K | NIST |
| Ttriple | 104.71 ± 0.05 | K | NIST |
| Vc | [0.305; 0.305] | m3/kmol |
|
| Vc | 0.305 | m3/kmol | KDB |
| Vc | 0.305 | m3/kmol | NIST |
| Zc | 0.2859470 | KDB | |
| Zra | 0.27 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [113.33; 160.80] | J/mol×K | [310.04; 480.19] |
|
| Cp,gas | 113.33 | J/mol×K | 310.04 | Joback Calculated Property |
| Cp,gas | 122.05 | J/mol×K | 338.40 | Joback Calculated Property |
| Cp,gas | 130.44 | J/mol×K | 366.76 | Joback Calculated Property |
| Cp,gas | 138.50 | J/mol×K | 395.12 | Joback Calculated Property |
| Cp,gas | 146.24 | J/mol×K | 423.47 | Joback Calculated Property |
| Cp,gas | 153.67 | J/mol×K | 451.83 | Joback Calculated Property |
| Cp,gas | 160.80 | J/mol×K | 480.19 | Joback Calculated Property |
| Cp,liquid | [156.06; 156.10] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 156.10 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 156.06 | J/mol×K | 298.15 | NIST |
| η | [0.0001932; 0.0057693] | Pa×s | [129.35; 310.04] |
|
| η | 0.0057693 | Pa×s | 129.35 | Joback Calculated Property |
| η | 0.0019191 | Pa×s | 159.47 | Joback Calculated Property |
| η | 0.0009056 | Pa×s | 189.58 | Joback Calculated Property |
| η | 0.0005251 | Pa×s | 219.69 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 249.81 | Joback Calculated Property |
| η | 0.0002509 | Pa×s | 279.93 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 310.04 | Joback Calculated Property |
| ΔfusH | [5.36; 5.36] | kJ/mol | [104.70; 104.71] |
|
| ΔfusH | 5.36 | kJ/mol | 104.70 | NIST |
| ΔfusH | 5.36 | kJ/mol | 104.70 | NIST |
| ΔfusH | 5.36 | kJ/mol | 104.71 | NIST |
| ΔfusH | 5.36 | kJ/mol | 104.71 | NIST |
| ΔvapH | [24.10; 26.30] | kJ/mol | [280.50; 298.50] |
|
| ΔvapH | 26.30 | kJ/mol | 280.50 | NIST |
| ΔvapH | 24.10 | kJ/mol | 293.30 | KDB |
| ΔvapH | 25.40 | kJ/mol | 298.50 | NIST |
| n0 | 1.36110 | 298.15 | KDB | |
| ρl | 627.00 | kg/m3 | 293.00 | KDB |
| ΔfusS | [51.18; 51.18] | J/mol×K | [104.71; 104.71] |
|
| ΔfusS | 51.18 | J/mol×K | 104.71 | NIST |
| ΔfusS | 51.18 | J/mol×K | 104.71 | NIST |
| γ | 0.01 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [209.84; 314.08] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42164e+01 | |||
| Coefficient B | -2.57363e+03 | |||
| Coefficient C | -2.50700e+01 | |||
| Temperature range, min. | 209.84 | |||
| Temperature range, max. | 314.08 | |||
| Pvap | 1.33 | kPa | 209.84 | Calculated Property |
| Pvap | 3.03 | kPa | 221.42 | Calculated Property |
| Pvap | 6.29 | kPa | 233.00 | Calculated Property |
| Pvap | 12.09 | kPa | 244.59 | Calculated Property |
| Pvap | 21.76 | kPa | 256.17 | Calculated Property |
| Pvap | 37.02 | kPa | 267.75 | Calculated Property |
| Pvap | 60.01 | kPa | 279.33 | Calculated Property |
| Pvap | 93.27 | kPa | 290.92 | Calculated Property |
| Pvap | 139.72 | kPa | 302.50 | Calculated Property |
| Pvap | 202.64 | kPa | 314.08 | Calculated Property |
| Pvap | [1.34e-08; 3445.41] | kPa | [104.66; 450.37] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.12332e+01 | |||
| Coefficient B | -5.04579e+03 | |||
| Coefficient C | -8.87493e+00 | |||
| Coefficient D | 1.15451e-05 | |||
| Temperature range, min. | 104.66 | |||
| Temperature range, max. | 450.37 | |||
| Pvap | 1.34e-08 | kPa | 104.66 | Calculated Property |
| Pvap | 3.91e-04 | kPa | 143.07 | Calculated Property |
| Pvap | 0.10 | kPa | 181.48 | Calculated Property |
| Pvap | 2.67 | kPa | 219.90 | Calculated Property |
| Pvap | 23.97 | kPa | 258.31 | Calculated Property |
| Pvap | 112.32 | kPa | 296.72 | Calculated Property |
| Pvap | 354.33 | kPa | 335.13 | Calculated Property |
| Pvap | 871.07 | kPa | 373.55 | Calculated Property |
| Pvap | 1824.21 | kPa | 411.96 | Calculated Property |
| Pvap | 3445.41 | kPa | 450.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 3-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapor Pressures and Vapor Liquid Critical Properties of Four Pentene Isomers
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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