- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.71; 293.41] | J/mol×K | [376.09; 554.06] |
|
| Cp,gas | 218.71 | J/mol×K | 376.09 | Joback Calculated Property |
| Cp,gas | 232.81 | J/mol×K | 405.75 | Joback Calculated Property |
| Cp,gas | 246.21 | J/mol×K | 435.41 | Joback Calculated Property |
| Cp,gas | 258.94 | J/mol×K | 465.07 | Joback Calculated Property |
| Cp,gas | 271.04 | J/mol×K | 494.73 | Joback Calculated Property |
| Cp,gas | 282.52 | J/mol×K | 524.40 | Joback Calculated Property |
| Cp,gas | 293.41 | J/mol×K | 554.06 | Joback Calculated Property |
| η | [0.0002703; 0.0095731] | Pa×s | [180.58; 376.09] |
|
| η | 0.0095731 | Pa×s | 180.58 | Joback Calculated Property |
| η | 0.0033536 | Pa×s | 213.16 | Joback Calculated Property |
| η | 0.0015516 | Pa×s | 245.75 | Joback Calculated Property |
| η | 0.0008599 | Pa×s | 278.34 | Joback Calculated Property |
| η | 0.0005393 | Pa×s | 310.92 | Joback Calculated Property |
| η | 0.0003695 | Pa×s | 343.50 | Joback Calculated Property |
| η | 0.0002703 | Pa×s | 376.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 3-ethyl-3-methyl-.
Sources
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