- InChI
- InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
- InChI Key
- WOFPPJOZXUTRAU-MRVPVSSYSA-N
- Formula
- C8H18O
- SMILES
- CCCCC(O)CCC
- Molecular Weight1
- 130.23
- CAS
- 90365-63-2
- 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).
- 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 | 0.6315 | Relay (... Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.78 | eV | Relay (... Calculated Property |
| log10WS | -1.95 | Relay (... Calculated Property | |
| logPoct/wat | 2.338 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Tboil | [447.15; 449.45] | K |
|
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tboil | 447.15 ± 3.00 | K | NIST |
| Tboil | 449.45 ± 0.50 | K | NIST |
| Tc | 623.77 | K | Relay (... Calculated Property |
| Tfus | 248.37 | K | Relay (... Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.23; 354.79] | J/mol×K | [474.18; 637.10] |
|
| Cp,gas | 290.23 | J/mol×K | 474.18 | Joback Calculated Property |
| Cp,gas | 302.08 | J/mol×K | 501.33 | Joback Calculated Property |
| Cp,gas | 313.47 | J/mol×K | 528.49 | Joback Calculated Property |
| Cp,gas | 324.43 | J/mol×K | 555.64 | Joback Calculated Property |
| Cp,gas | 334.96 | J/mol×K | 582.79 | Joback Calculated Property |
| Cp,gas | 345.08 | J/mol×K | 609.94 | Joback Calculated Property |
| Cp,gas | 354.79 | J/mol×K | 637.10 | Joback Calculated Property |
| η | [0.0001689; 0.1178389] | Pa×s | [225.74; 474.18] |
|
| η | 0.1178389 | Pa×s | 225.74 | Joback Calculated Property |
| η | 0.0169844 | Pa×s | 267.15 | Joback Calculated Property |
| η | 0.0041171 | Pa×s | 308.55 | Joback Calculated Property |
| η | 0.0013956 | Pa×s | 349.96 | Joback Calculated Property |
| η | 0.0005948 | Pa×s | 391.37 | Joback Calculated Property |
| η | 0.0002984 | Pa×s | 432.77 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 474.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-4-octanol.
Sources
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