- InChI
- InChI=1S/C5H11/c1-5(2,3)4/h1H2,2-4H3
- InChI Key
- GJWHXWMUGWZNTO-UHFFFAOYSA-N
- Formula
- C5H11
- SMILES
- [CH2]C(C)(C)C
- Molecular Weight1
- 71.14
- Other Names
-
- 2,2-Dimethylpropane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.1970 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| EA | 0.23 ± 0.12 | eV | NIST |
| ΔfH°gas | -44.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.88; 8.30] | eV |
|
| IE | 7.88 ± 0.05 | eV | NIST |
| IE | 7.91 | eV | NIST |
| IE | 8.30 ± 0.10 | eV | NIST |
| IE | 8.25 ± 0.03 | eV | NIST |
| logPoct/wat | 1.867 | Crippen Calculated Property | |
| McVol | 79.160 | ml/mol | McGowan Calculated Property |
| Pc | 3199.17 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tboil | 290.62 | K | Relay (1.0) Calculated Property |
| Tc | 433.78 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tfus | 158.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.58; 262.62] | 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 | -4.65390e+01 | |||
| Coefficient B | 7.07760e-01 | |||
| Coefficient C | -6.27400e-04 | |||
| Coefficient D | 2.28800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 135.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 182.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 200.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 216.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 240.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 251.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 262.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014388; 0.0002985] | Pa×s | [164.90; 303.64] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.98631e+00 | |||
| Coefficient B | 5.67650e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 164.90 | |||
| Temperature range, max. | 303.64 | |||
| η | 0.0014388 | Pa×s | 164.90 | Calculated Property |
| η | 0.0010720 | Pa×s | 180.32 | Calculated Property |
| η | 0.0008366 | Pa×s | 195.73 | Calculated Property |
| η | 0.0006770 | Pa×s | 211.15 | Calculated Property |
| η | 0.0005638 | Pa×s | 226.56 | Calculated Property |
| η | 0.0004806 | Pa×s | 241.98 | Calculated Property |
| η | 0.0004176 | Pa×s | 257.40 | Calculated Property |
| η | 0.0003687 | Pa×s | 272.81 | Calculated Property |
| η | 0.0003299 | Pa×s | 288.23 | Calculated Property |
| η | 0.0002985 | Pa×s | 303.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Neopentyl radical.
Sources
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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