- InChI
- InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h7,9-10H,4-6H2,1-3H3
- InChI Key
- PNLIZTGZMGUPNP-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCCC(O)C=C(C)C
- Molecular Weight1
- 142.24
- CAS
- 65885-49-6
- 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.
- 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° | -42.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.504 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | [1160.00; 1160.00] |
|
|
| Inp | 1160.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Tboil | 501.10 | K | Joback Calculated Property |
| Tc | 672.83 | K | Joback Calculated Property |
| Tfus | 217.97 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.19; 384.52] | J/mol×K | [501.10; 672.83] |
|
| Cp,gas | 317.19 | J/mol×K | 501.10 | Joback Calculated Property |
| Cp,gas | 329.73 | J/mol×K | 529.72 | Joback Calculated Property |
| Cp,gas | 341.72 | J/mol×K | 558.34 | Joback Calculated Property |
| Cp,gas | 353.17 | J/mol×K | 586.96 | Joback Calculated Property |
| Cp,gas | 364.10 | J/mol×K | 615.58 | Joback Calculated Property |
| Cp,gas | 374.54 | J/mol×K | 644.21 | Joback Calculated Property |
| Cp,gas | 384.52 | J/mol×K | 672.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octen-4-ol, 2-methyl-.
Sources
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