- InChI
- InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h8H,3,5-6H2,1-2,4H3
- InChI Key
- YXLCVBVDFKWWRW-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(CC)C(C)CC
- Molecular Weight1
- 112.21
- CAS
- 3404-67-9
- Other Names
-
- 2-Ethyl-3-methyl-1-pentene
- 1-Pentene, 2-ethyl-3-methyl
- 2-Ethyl-3-methylpent-1-ene
- 3-methyl-4-methylenehexane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 93.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [748.50; 756.90] |
|
|
| Inp | 756.90 | NIST | |
| Inp | 748.50 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 751.00 | NIST | |
| Tboil | 384.90 ± 2.00 | K | NIST |
| Tc | 552.61 | K | Joback Calculated Property |
| Tfus | 149.20 | K | Joback Calculated Property |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.59; 288.55] | J/mol×K | [378.56; 552.61] |
|
| Cp,gas | 217.59 | J/mol×K | 378.56 | Joback Calculated Property |
| Cp,gas | 230.69 | J/mol×K | 407.57 | Joback Calculated Property |
| Cp,gas | 243.26 | J/mol×K | 436.58 | Joback Calculated Property |
| Cp,gas | 255.31 | J/mol×K | 465.59 | Joback Calculated Property |
| Cp,gas | 266.87 | J/mol×K | 494.59 | Joback Calculated Property |
| Cp,gas | 277.94 | J/mol×K | 523.60 | Joback Calculated Property |
| Cp,gas | 288.55 | J/mol×K | 552.61 | Joback Calculated Property |
| ΔvapH | [36.40; 36.40] | kJ/mol | [345.50; 348.00] |
|
| ΔvapH | 36.40 | kJ/mol | 345.50 | NIST |
| ΔvapH | 36.40 | kJ/mol | 348.00 | NIST |
Similar Compounds
Find more compounds similar to Hexane, 3-methyl-4-methylene-.
Sources
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