- InChI
- InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
- InChI Key
- PKXHXOTZMFCXSH-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- C=CC(C)(C)C
- Molecular Weight1
- 84.16
- CAS
- 558-37-2
- Other Names
-
- (CH3)3CCH=CH2
- 2,2-Dimethyl-3-butene
- 3,3-Dimethyl-1-butene
- 3,3-Dimethylbut-1-ene
- 3,3-Dimethylbutene
- NEOHEXENE
- NSC 74119
- TERT-BUTYLETHENE
- TERT-HEXENE
- Trimethylvinylmethane
- tert-Butylethylene
- ω : Acentric Factor.
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- S°gas : Molar entropy at standard conditions (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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1210 | KDB | |
| ΔfG° | 98.22 | kJ/mol | KDB |
| Δc,grossH | 3988.65 | kJ/mol | KDB |
| Δc,netH | 3724.555 | kJ/mol | KDB |
| ΔfH°gas | -61.55 | kJ/mol | KDB |
| ΔfusH° | 2.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [26.60; 27.40] | kJ/mol |
|
| ΔvapH° | 26.60 | kJ/mol | NIST |
| ΔvapH° | 27.40 | kJ/mol | NIST |
| ΔvapH° | 26.60 | kJ/mol | NIST |
| ΔvapH° | 26.60 | kJ/mol | NIST |
| IE | [9.44; 9.70] | eV |
|
| IE | 9.45 ± 0.02 | eV | NIST |
| IE | 9.44 | eV | NIST |
| IE | 9.45 ± 0.01 | eV | NIST |
| IE | 9.62 ± 0.04 | eV | NIST |
| IE | 9.70 | eV | NIST |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| Pc | 3250.00 | kPa | KDB |
| Inp | [505.00; 517.00] |
|
|
| Inp | 513.90 | NIST | |
| Inp | 505.30 | NIST | |
| Inp | 505.00 | NIST | |
| Inp | 514.00 | NIST | |
| Inp | 514.00 | NIST | |
| Inp | 509.00 | NIST | |
| Inp | 507.00 | NIST | |
| Inp | 507.00 | NIST | |
| Inp | 505.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 506.00 | NIST | |
| Inp | 507.00 | NIST | |
| Inp | 509.00 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 517.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 513.10 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 507.40 | NIST | |
| Inp | 506.00 | NIST | |
| Inp | 513.00 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 512.00 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 509.00 | NIST | |
| Inp | 517.00 | NIST | |
| Inp | 507.40 | NIST | |
| Inp | 513.00 | NIST | |
| Inp | 517.00 | NIST | |
| Inp | 513.10 | NIST | |
| S°gas | 343.76 | J/mol×K | NIST |
| S°liquid | 156.50 | J/mol×K | NIST |
| Tboil | [313.50; 314.65] | K |
|
| Tboil | 314.40 | K | KDB |
| Tboil | 314.40 | K | NIST |
| Tboil | Outlier 313.50 ± 0.50 | K | NIST |
| Tboil | 314.43 ± 0.10 | K | NIST |
| Tboil | 314.36 ± 0.20 | K | NIST |
| Tboil | 314.15 ± 1.50 | K | NIST |
| Tboil | 314.60 ± 0.50 | K | NIST |
| Tboil | 314.40 ± 3.00 | K | NIST |
| Tboil | 314.00 ± 4.00 | K | NIST |
| Tboil | 314.38 ± 0.20 | K | NIST |
| Tboil | 314.55 ± 0.40 | K | NIST |
| Tboil | 314.35 ± 0.50 | K | NIST |
| Tboil | 314.37 ± 0.20 | K | NIST |
| Tboil | 314.37 ± 0.20 | K | NIST |
| Tboil | 314.15 ± 0.30 | K | NIST |
| Tboil | 314.35 ± 1.00 | K | NIST |
| Tboil | 314.35 ± 0.50 | K | NIST |
| Tboil | 314.60 ± 0.50 | K | NIST |
| Tboil | 314.38 ± 0.05 | K | NIST |
| Tboil | 314.65 ± 2.00 | K | NIST |
| Tboil | 314.35 ± 0.50 | K | NIST |
| Tboil | 314.33 ± 0.20 | K | NIST |
| Tboil | 314.25 ± 0.50 | K | NIST |
| Tboil | 314.35 ± 0.50 | K | NIST |
| Tc | [477.40; 490.00] | K |
|
| Tc | 490.00 | K | KDB |
| Tc | 477.40 | K | Gas-Liq... |
| Tfus | [157.62; 158.08] | K |
|
| Tfus | 158.00 | K | KDB |
| Tfus | 157.88 ± 0.07 | K | NIST |
| Tfus | 157.92 ± 0.05 | K | NIST |
| Tfus | 158.08 ± 0.50 | K | NIST |
| Tfus | 157.91 ± 0.40 | K | NIST |
| Tfus | 157.62 ± 0.06 | K | NIST |
| Ttriple | 158.40 ± 0.20 | K | NIST |
| Vc | 0.340 | m3/kmol | KDB |
| Zc | 0.2712250 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.53; 206.63] | J/mol×K | [330.13; 508.46] |
|
| Cp,gas | 145.53 | J/mol×K | 330.13 | Joback Calculated Property |
| Cp,gas | 157.12 | J/mol×K | 359.85 | Joback Calculated Property |
| Cp,gas | 168.11 | J/mol×K | 389.57 | Joback Calculated Property |
| Cp,gas | 178.54 | J/mol×K | 419.29 | Joback Calculated Property |
| Cp,gas | 188.42 | J/mol×K | 449.01 | Joback Calculated Property |
| Cp,gas | 197.78 | J/mol×K | 478.73 | Joback Calculated Property |
| Cp,gas | 206.63 | J/mol×K | 508.46 | Joback Calculated Property |
| Cp,liquid | 188.28 | J/mol×K | 295.90 | NIST |
| η | [0.0002699; 0.0086393] | Pa×s | [158.04; 330.13] |
|
| η | 0.0086393 | Pa×s | 158.04 | Joback Calculated Property |
| η | 0.0031112 | Pa×s | 186.72 | Joback Calculated Property |
| η | 0.0014706 | Pa×s | 215.40 | Joback Calculated Property |
| η | 0.0008290 | Pa×s | 244.09 | Joback Calculated Property |
| η | 0.0005272 | Pa×s | 272.77 | Joback Calculated Property |
| η | 0.0003654 | Pa×s | 301.45 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 330.13 | Joback Calculated Property |
| ΔfusH | 1.09 | kJ/mol | 158.40 | NIST |
| ΔvapH | [25.65; 28.60] | kJ/mol | [285.00; 314.40] |
|
| ΔvapH | 28.60 | kJ/mol | 285.00 | NIST |
| ΔvapH | 25.65 | kJ/mol | 314.40 | KDB |
| n0 | 1.37313 | 298.15 | KDB | |
| ρl | 653.00 | kg/m3 | 293.00 | KDB |
| γ | 0.01 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [226.48; 336.68] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39108e+01 | |||
| Coefficient B | -2.56964e+03 | |||
| Coefficient C | -3.78610e+01 | |||
| Temperature range, min. | 226.48 | |||
| Temperature range, max. | 336.68 | |||
| Pvap | 1.33 | kPa | 226.48 | Calculated Property |
| Pvap | 3.06 | kPa | 238.72 | Calculated Property |
| Pvap | 6.38 | kPa | 250.97 | Calculated Property |
| Pvap | 12.28 | kPa | 263.21 | Calculated Property |
| Pvap | 22.10 | kPa | 275.46 | Calculated Property |
| Pvap | 37.55 | kPa | 287.70 | Calculated Property |
| Pvap | 60.72 | kPa | 299.95 | Calculated Property |
| Pvap | 94.05 | kPa | 312.19 | Calculated Property |
| Pvap | 140.34 | kPa | 324.44 | Calculated Property |
| Pvap | 202.66 | kPa | 336.68 | Calculated Property |
| Pvap | [5.75e-04; 3434.60] | kPa | [157.95; 490.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.15833e+01 | |||
| Coefficient B | -5.85339e+03 | |||
| Coefficient C | -1.03191e+01 | |||
| Coefficient D | 1.00976e-05 | |||
| Temperature range, min. | 157.95 | |||
| Temperature range, max. | 490.00 | |||
| Pvap | 5.75e-04 | kPa | 157.95 | Calculated Property |
| Pvap | 0.08 | kPa | 194.84 | Calculated Property |
| Pvap | 1.96 | kPa | 231.74 | Calculated Property |
| Pvap | 16.52 | kPa | 268.63 | Calculated Property |
| Pvap | 75.31 | kPa | 305.53 | Calculated Property |
| Pvap | 232.93 | kPa | 342.42 | Calculated Property |
| Pvap | 559.13 | kPa | 379.32 | Calculated Property |
| Pvap | 1133.23 | kPa | 416.21 | Calculated Property |
| Pvap | 2049.59 | kPa | 453.11 | Calculated Property |
| Pvap | 3434.60 | kPa | 490.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 3,3-dimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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