- InChI
- InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h7,9H,3-6H2,1-2H3
- InChI Key
- BNHJODMDMOKFFL-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCCC(=O)C(C)O
- Molecular Weight1
- 144.21
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6375 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.517 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| I | [1647.00; 1647.00] |
|
|
| I | 1647.00 | NIST | |
| I | 1647.00 | NIST | |
| Tboil | 460.21 | K | Relay (1.0) Calculated Property |
| Tc | 654.21 | K | Relay (1.0) Calculated Property |
| Tfus | 321.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.75; 369.66] | J/mol×K | [528.05; 700.14] |
|
| Cp,gas | 309.75 | J/mol×K | 528.05 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 556.73 | Joback Calculated Property |
| Cp,gas | 331.52 | J/mol×K | 585.41 | Joback Calculated Property |
| Cp,gas | 341.71 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 351.46 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 360.77 | J/mol×K | 671.46 | Joback Calculated Property |
| Cp,gas | 369.66 | J/mol×K | 700.14 | Joback Calculated Property |
| η | [0.0001397; 0.0284980] | Pa×s | [275.67; 528.05] |
|
| η | 0.0284980 | Pa×s | 275.67 | Joback Calculated Property |
| η | 0.0065326 | Pa×s | 317.73 | Joback Calculated Property |
| η | 0.0021132 | Pa×s | 359.80 | Joback Calculated Property |
| η | 0.0008658 | Pa×s | 401.86 | Joback Calculated Property |
| η | 0.0004201 | Pa×s | 443.92 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 485.99 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 528.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-octanon-2-ol.
Sources
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