- InChI
- InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h6,9H,3-5,7H2,1-2H3/b8-6+
- InChI Key
- JSRFYJBJQPGAAA-SOFGYWHQSA-N
- Formula
- C8H16O
- SMILES
- CCCC=C(CC)CO
- Molecular Weight1
- 128.21
- CAS
- 50639-00-4
- Other Names
-
- 2-Ethyl-2-hexen-1-ol
- 2-ethylhex-2-enol
- 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).
- 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.
- I : 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° | -48.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.115 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Inp | [989.00; 1051.00] |
|
|
| Inp | 989.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 989.00 | NIST | |
| I | 1518.00 | NIST | |
| Tboil | 478.66 | K | Joback Calculated Property |
| Tc | 648.23 | K | Joback Calculated Property |
| Tfus | 221.70 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.19; 334.25] | J/mol×K | [478.66; 648.23] |
|
| Cp,gas | 273.19 | J/mol×K | 478.66 | Joback Calculated Property |
| Cp,gas | 284.54 | J/mol×K | 506.92 | Joback Calculated Property |
| Cp,gas | 295.39 | J/mol×K | 535.18 | Joback Calculated Property |
| Cp,gas | 305.77 | J/mol×K | 563.45 | Joback Calculated Property |
| Cp,gas | 315.70 | J/mol×K | 591.71 | Joback Calculated Property |
| Cp,gas | 325.18 | J/mol×K | 619.97 | Joback Calculated Property |
| Cp,gas | 334.25 | J/mol×K | 648.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexen-1-ol, 2-ethyl-.
Sources
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