- InChI
- InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3
- InChI Key
- RYKZRKKEYSRDNF-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- C=C(CC)CC
- Molecular Weight1
- 84.16
- CAS
- 760-21-4
- Other Names
-
- (C2H5)2C=CH2
- 1,1-Diethylethene
- 1-Butene, 2-ethyl-
- 2-Ethyl-1-butene
- 2-ethylbut-1-ene
- 3-Methylenepentane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2670 | KDB | |
| Δc,grossH | 3989.03 | kJ/mol | KDB |
| Δc,netH | 3724.932 | kJ/mol | KDB |
| ΔfH°gas | -56.07 ± 0.88 | kJ/mol | NIST |
| ΔfH°liquid | -87.20 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 8.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [31.00; 31.00] | kJ/mol |
|
| ΔvapH° | 31.00 | kJ/mol | NIST |
| ΔvapH° | 31.00 | kJ/mol | NIST |
| IE | [9.01; 9.06] | eV |
|
| IE | 9.06 ± 0.02 | eV | NIST |
| IE | 9.01 | eV | NIST |
| IE | 9.06 ± 0.01 | eV | NIST |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.363 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| Pc | 3280.00 | kPa | KDB |
| Inp | [584.00; 608.00] |
|
|
| Inp | 599.00 | NIST | |
| Inp | 592.10 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | Outlier 608.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | Outlier 584.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 598.80 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 592.20 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | Outlier 608.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 592.20 | NIST | |
| Inp | 598.80 | NIST | |
| Tboil | [337.80; 340.65] | K |
|
| Tboil | 337.80 | K | KDB |
| Tboil | 337.90 | K | NIST |
| Tboil | 338.10 ± 1.00 | K | NIST |
| Tboil | Outlier 340.65 ± 5.00 | K | NIST |
| Tboil | 337.84 ± 0.30 | K | NIST |
| Tboil | 337.95 ± 0.40 | K | NIST |
| Tboil | 338.15 ± 1.00 | K | NIST |
| Tboil | 337.84 ± 0.30 | K | NIST |
| Tboil | 337.85 ± 0.30 | K | NIST |
| Tboil | 337.85 ± 0.30 | K | NIST |
| Tboil | 337.95 ± 0.60 | K | NIST |
| Tboil | 339.75 ± 1.00 | K | NIST |
| Tboil | 339.60 ± 0.60 | K | NIST |
| Tboil | 339.60 ± 1.50 | K | NIST |
| Tc | 510.40 | K | KDB |
| Tfus | [141.13; 142.00] | K |
|
| Tfus | 141.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 142.00 | K | KDB |
| Tfus | 141.13 ± 0.20 | K | NIST |
| Tfus | 141.17 ± 0.30 | K | NIST |
| Vc | 0.353 | m3/kmol | KDB |
| Zc | 0.2732220 | KDB |
Cheméo can also estimate Standard Gibbs free energy of formation 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 | 28.79 | kJ/mol | 337.80 | KDB |
| n0 | 1.39380 | 298.15 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.11; 300.09] | 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 | -5.24800e+00 | |||
| Coefficient B | 5.53740e-01 | |||
| Coefficient C | -3.27800e-04 | |||
| Coefficient D | 7.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 180.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 203.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 244.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 275.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 288.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 300.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [242.58; 361.85] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40243e+01 | |||
| Coefficient B | -2.84136e+03 | |||
| Coefficient C | -3.57390e+01 | |||
| Temperature range, min. | 242.58 | |||
| Temperature range, max. | 361.85 | |||
| Pvap | 1.33 | kPa | 242.58 | Calculated Property |
| Pvap | 3.05 | kPa | 255.83 | Calculated Property |
| Pvap | 6.35 | kPa | 269.08 | Calculated Property |
| Pvap | 12.21 | kPa | 282.34 | Calculated Property |
| Pvap | 21.97 | kPa | 295.59 | Calculated Property |
| Pvap | 37.35 | kPa | 308.84 | Calculated Property |
| Pvap | 60.45 | kPa | 322.09 | Calculated Property |
| Pvap | 93.75 | kPa | 335.35 | Calculated Property |
| Pvap | 140.10 | kPa | 348.60 | Calculated Property |
| Pvap | 202.64 | kPa | 361.85 | Calculated Property |
| Pvap | [2.74e-06; 3177.77] | kPa | [141.61; 512.00] |
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 | 5.84051e+01 | |||
| Coefficient B | -5.53757e+03 | |||
| Coefficient C | -6.49779e+00 | |||
| Coefficient D | 3.85159e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 141.61 | |||
| Temperature range, max. | 512.00 | |||
| Pvap | 2.74e-06 | kPa | 141.61 | Calculated Property |
| Pvap | 3.67e-03 | kPa | 182.76 | Calculated Property |
| Pvap | 0.27 | kPa | 223.92 | Calculated Property |
| Pvap | 4.61 | kPa | 265.07 | Calculated Property |
| Pvap | 32.71 | kPa | 306.23 | Calculated Property |
| Pvap | 136.22 | kPa | 347.38 | Calculated Property |
| Pvap | 400.16 | kPa | 388.54 | Calculated Property |
| Pvap | 927.44 | kPa | 429.69 | Calculated Property |
| Pvap | 1821.26 | kPa | 470.85 | Calculated Property |
| Pvap | 3177.77 | kPa | 512.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3-methylene-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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