- InChI
- InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6-7H,1H2,2-5H3
- InChI Key
- BOPVNOMJIDZBQB-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=CC(C)C(C)(C)C
- Molecular Weight1
- 112.21
- CAS
- 564-03-4
- Other Names
-
- 3,4,4-Trimethylpent-1-ene
- 3,3,4-Trimethyl-1-pentene
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2299 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.10 | kJ/mol | NIST |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.855 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | [698.40; 704.20] |
|
|
| Inp | 704.20 | NIST | |
| Inp | 698.40 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 698.50 | NIST | |
| Inp | 700.00 | NIST | |
| Tboil | 377.00 ± 5.00 | K | NIST |
| Tc | 547.27 | K | Relay (1.0) Calculated Property |
| Tfus | 155.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.61; 405.55] | 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 | -3.35300e+01 | |||
| Coefficient B | 8.75580e-01 | |||
| Coefficient C | -6.09300e-04 | |||
| Coefficient D | 1.72800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 246.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 279.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 308.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 355.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 374.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 390.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 405.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0195893; 0.0002306] | Pa×s | [165.58; 390.54] |
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 | -1.16446e+01 | |||
| Coefficient B | 1.27692e+03 | |||
| 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. | 165.58 | |||
| Temperature range, max. | 390.54 | |||
| η | 0.0195893 | Pa×s | 165.58 | Calculated Property |
| η | 0.0071244 | Pa×s | 190.58 | Calculated Property |
| η | 0.0032760 | Pa×s | 215.57 | Calculated Property |
| η | 0.0017703 | Pa×s | 240.57 | Calculated Property |
| η | 0.0010742 | Pa×s | 265.56 | Calculated Property |
| η | 0.0007103 | Pa×s | 290.56 | Calculated Property |
| η | 0.0005015 | Pa×s | 315.55 | Calculated Property |
| η | 0.0003726 | Pa×s | 340.55 | Calculated Property |
| η | 0.0002883 | Pa×s | 365.54 | Calculated Property |
| η | 0.0002306 | Pa×s | 390.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 3,4,4-trimethyl-.
Sources
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