- InChI
- InChI=1S/C8H16/c1-5-8(4,6-2)7-3/h5H,1,6-7H2,2-4H3
- InChI Key
- PHHHEKOJKDYRIN-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=CC(C)(CC)CC
- Molecular Weight1
- 112.21
- CAS
- 6196-60-7
- Other Names
-
- 3-Ethyl-3-methyl-1-pentene
- 3-Ethyl-3-methylpent-1-ene
- 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).
- 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 | 0.2480 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | [740.10; 744.30] |
|
|
| Inp | 744.30 | NIST | |
| Inp | 740.10 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 744.30 | NIST | |
| Tboil | 383.70 ± 1.00 | K | NIST |
| Tc | 557.10 | K | Relay (1.0) Calculated Property |
| Tfus | 171.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.92; 405.01] | 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 | -3.18480e+01 | |||
| Coefficient B | 8.69660e-01 | |||
| Coefficient C | -6.06100e-04 | |||
| Coefficient D | 1.73300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 245.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 279.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 307.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 354.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 373.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 390.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 405.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0095731; 0.0002446] | Pa×s | [180.58; 387.84] |
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 | -1.15106e+01 | |||
| Coefficient B | 1.23910e+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. | 180.58 | |||
| Temperature range, max. | 387.84 | |||
| η | 0.0095731 | Pa×s | 180.58 | Calculated Property |
| η | 0.0044056 | Pa×s | 203.61 | Calculated Property |
| η | 0.0023738 | Pa×s | 226.64 | Calculated Property |
| η | 0.0014336 | Pa×s | 249.67 | Calculated Property |
| η | 0.0009428 | Pa×s | 272.70 | Calculated Property |
| η | 0.0006618 | Pa×s | 295.72 | Calculated Property |
| η | 0.0004890 | Pa×s | 318.75 | Calculated Property |
| η | 0.0003763 | Pa×s | 341.78 | Calculated Property |
| η | 0.0002993 | Pa×s | 364.81 | Calculated Property |
| η | 0.0002446 | Pa×s | 387.84 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 3-ethyl-3-methyl-.
Sources
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