- InChI
- InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
- InChI Key
- KLCNJIQZXOQYTE-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- C=CCC(C)(C)C
- Molecular Weight1
- 98.19
- CAS
- 762-62-9
- Other Names
-
- (CH3)3CCH2CH=CH2
- 2,2-DIMETHYL-4-PENTENE
- 4,4-Dimethyl-1-pentene
- 4,4-dimethylpent-1-ene
- neo-amylethylene
- 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).
- 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).
- 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).
- 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 | -4644.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 98.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [31.20; 31.20] | kJ/mol |
|
| ΔvapH° | 31.20 | kJ/mol | NIST |
| ΔvapH° | 31.20 | kJ/mol | NIST |
| IE | [9.40; 9.60] | eV |
|
| IE | 9.40 ± 0.00 | eV | NIST |
| IE | 9.60 | eV | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [602.30; 617.00] |
|
|
| Inp | 610.40 | NIST | |
| Inp | 602.30 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 615.00 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Inp | 614.50 | NIST | |
| Inp | 615.90 | NIST | |
| Inp | 604.90 | NIST | |
| Inp | 606.60 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 610.00 | NIST | |
| Inp | 610.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 603.40 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 610.40 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 603.40 | NIST | |
| Tboil | [344.40; 345.70] | K |
|
| Tboil | 345.70 | K | NIST |
| Tboil | 345.58 ± 0.20 | K | NIST |
| Tboil | 345.65 ± 0.50 | K | NIST |
| Tboil | 345.10 ± 3.00 | K | NIST |
| Tboil | 345.65 ± 0.30 | K | NIST |
| Tboil | 345.35 ± 0.50 | K | NIST |
| Tboil | 345.65 ± 0.20 | K | NIST |
| Tboil | 345.25 ± 0.50 | K | NIST |
| Tboil | 345.66 ± 0.30 | K | NIST |
| Tboil | 345.59 ± 0.20 | K | NIST |
| Tboil | 345.30 ± 0.30 | K | NIST |
| Tboil | Outlier 344.40 ± 4.00 | K | NIST |
| Tboil | 345.25 ± 0.40 | K | NIST |
| Tboil | Outlier 344.40 ± 0.50 | K | NIST |
| Tboil | 344.95 ± 0.60 | K | NIST |
| Tboil | 345.50 ± 1.00 | K | NIST |
| Tc | 516.00 | K | Gas-Liq... |
| Tfus | [135.53; 136.55] | K |
|
| Tfus | Outlier 135.53 ± 0.50 | K | NIST |
| Tfus | 136.51 ± 0.06 | K | NIST |
| Tfus | 136.55 ± 0.03 | K | NIST |
| Tfus | 136.50 ± 0.50 | K | NIST |
| Tfus | 136.45 ± 0.30 | K | NIST |
| Tfus | 136.47 ± 0.20 | K | NIST |
| Tfus | 136.50 ± 0.40 | K | NIST |
| Tfus | 136.45 ± 0.50 | K | NIST |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.87; 249.12] | J/mol×K | [353.01; 531.33] |
|
| Cp,gas | 180.87 | J/mol×K | 353.01 | Joback Calculated Property |
| Cp,gas | 193.78 | J/mol×K | 382.73 | Joback Calculated Property |
| Cp,gas | 206.04 | J/mol×K | 412.45 | Joback Calculated Property |
| Cp,gas | 217.68 | J/mol×K | 442.17 | Joback Calculated Property |
| Cp,gas | 228.72 | J/mol×K | 471.89 | Joback Calculated Property |
| Cp,gas | 239.19 | J/mol×K | 501.61 | Joback Calculated Property |
| Cp,gas | 249.12 | J/mol×K | 531.33 | Joback Calculated Property |
| η | [0.0002742; 0.0092538] | Pa×s | [169.31; 353.01] |
|
| η | 0.0092538 | Pa×s | 169.31 | Joback Calculated Property |
| η | 0.0032853 | Pa×s | 199.93 | Joback Calculated Property |
| η | 0.0015356 | Pa×s | 230.54 | Joback Calculated Property |
| η | 0.0008579 | Pa×s | 261.16 | Joback Calculated Property |
| η | 0.0005415 | Pa×s | 291.78 | Joback Calculated Property |
| η | 0.0003731 | Pa×s | 322.39 | Joback Calculated Property |
| η | 0.0002742 | Pa×s | 353.01 | Joback Calculated Property |
| ΔvapH | [31.00; 31.00] | kJ/mol | [318.00; 323.00] |
|
| ΔvapH | 31.00 | kJ/mol | 318.00 | NIST |
| ΔvapH | 31.00 | kJ/mol | 323.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [249.79; 370.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38019e+01 | |||
| Coefficient B | -2.74766e+03 | |||
| Coefficient C | -4.64750e+01 | |||
| Temperature range, min. | 249.79 | |||
| Temperature range, max. | 370.09 | |||
| Pvap | 1.33 | kPa | 249.79 | Calculated Property |
| Pvap | 3.07 | kPa | 263.16 | Calculated Property |
| Pvap | 6.41 | kPa | 276.52 | Calculated Property |
| Pvap | 12.35 | kPa | 289.89 | Calculated Property |
| Pvap | 22.23 | kPa | 303.26 | Calculated Property |
| Pvap | 37.75 | kPa | 316.62 | Calculated Property |
| Pvap | 60.98 | kPa | 329.99 | Calculated Property |
| Pvap | 94.33 | kPa | 343.36 | Calculated Property |
| Pvap | 140.55 | kPa | 356.72 | Calculated Property |
| Pvap | 202.63 | kPa | 370.09 | Calculated Property |
| Pvap | [12.90; 99.75] | kPa | [290.15; 345.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.95616e+01 | |||
| Coefficient B | -6.26895e+03 | |||
| Coefficient C | -9.90657e+00 | |||
| Coefficient D | 9.21539e-06 | |||
| Temperature range, min. | 290.15 | |||
| Temperature range, max. | 345.15 | |||
| Pvap | 12.90 | kPa | 290.15 | Calculated Property |
| Pvap | 16.94 | kPa | 296.26 | Calculated Property |
| Pvap | 21.95 | kPa | 302.37 | Calculated Property |
| Pvap | 28.10 | kPa | 308.48 | Calculated Property |
| Pvap | 35.56 | kPa | 314.59 | Calculated Property |
| Pvap | 44.52 | kPa | 320.71 | Calculated Property |
| Pvap | 55.20 | kPa | 326.82 | Calculated Property |
| Pvap | 67.81 | kPa | 332.93 | Calculated Property |
| Pvap | 82.58 | kPa | 339.04 | Calculated Property |
| Pvap | 99.75 | kPa | 345.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 4,4-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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