- InChI
- InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
- InChI Key
- SJWFXCIHNDVPSH-MRVPVSSYSA-N
- Formula
- C8H18O
- SMILES
- CCCCCCC(C)O
- Molecular Weight1
- 130.23
- CAS
- 6169-06-8
- Other Names
-
- (S)-(+)-2-Octanol
- d-octan-2-ol
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6471 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) 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 | [435.15; 453.25] | K |
|
| Tboil | 448.20 | K | NIST |
| Tboil | 453.15 ± 3.00 | K | NIST |
| Tboil | 453.15 ± 3.00 | K | NIST |
| Tboil | 449.65 ± 3.00 | K | NIST |
| Tboil | 451.15 ± 3.00 | K | NIST |
| Tboil | 450.65 ± 3.00 | K | NIST |
| Tboil | 450.15 ± 3.00 | K | NIST |
| Tboil | Outlier 435.15 ± 5.00 | K | NIST |
| Tboil | 451.65 ± 2.00 | K | NIST |
| Tboil | 452.75 ± 0.50 | K | NIST |
| Tboil | 448.15 ± 3.00 | K | NIST |
| Tboil | 451.15 ± 2.00 | K | NIST |
| Tboil | 450.80 ± 2.00 | K | NIST |
| Tboil | 452.25 ± 0.50 | K | NIST |
| Tboil | 452.20 ± 0.50 | K | NIST |
| Tboil | 452.15 ± 2.00 | K | NIST |
| Tboil | 450.50 ± 2.00 | K | NIST |
| Tboil | 452.15 ± 3.00 | K | NIST |
| Tboil | 453.25 ± 2.00 | K | NIST |
| Tboil | 452.15 ± 1.00 | K | NIST |
| Tboil | 452.15 ± 2.00 | K | NIST |
| Tboil | 452.65 ± 2.00 | K | NIST |
| Tboil | 449.65 ± 5.00 | K | NIST |
| Tboil | 452.65 ± 3.00 | K | NIST |
| Tc | 625.01 | K | Relay (1.0) Calculated Property |
| Tfus | 245.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.32; 354.88] | J/mol×K | [474.38; 637.36] |
|
| Cp,gas | 290.32 | J/mol×K | 474.38 | Joback Calculated Property |
| Cp,gas | 302.17 | J/mol×K | 501.54 | Joback Calculated Property |
| Cp,gas | 313.57 | J/mol×K | 528.71 | Joback Calculated Property |
| Cp,gas | 324.52 | J/mol×K | 555.87 | Joback Calculated Property |
| Cp,gas | 335.06 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 345.17 | J/mol×K | 610.20 | Joback Calculated Property |
| Cp,gas | 354.88 | J/mol×K | 637.36 | Joback Calculated Property |
| η | [0.0001685; 0.1178389] | Pa×s | [225.74; 474.38] |
|
| η | 0.1178389 | Pa×s | 225.74 | Joback Calculated Property |
| η | 0.0169620 | Pa×s | 267.18 | Joback Calculated Property |
| η | 0.0041090 | Pa×s | 308.62 | Joback Calculated Property |
| η | 0.0013924 | Pa×s | 350.06 | Joback Calculated Property |
| η | 0.0005933 | Pa×s | 391.50 | Joback Calculated Property |
| η | 0.0002977 | Pa×s | 432.94 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 474.38 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [347.84; 474.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64274e+01 | |||
| Coefficient B | -4.54011e+03 | |||
| Coefficient C | -6.65420e+01 | |||
| Temperature range, min. | 347.84 | |||
| Temperature range, max. | 474.97 | |||
| Pvap | 1.33 | kPa | 347.84 | Calculated Property |
| Pvap | 2.88 | kPa | 361.97 | Calculated Property |
| Pvap | 5.82 | kPa | 376.09 | Calculated Property |
| Pvap | 11.03 | kPa | 390.22 | Calculated Property |
| Pvap | 19.83 | kPa | 404.34 | Calculated Property |
| Pvap | 34.01 | kPa | 418.47 | Calculated Property |
| Pvap | 55.95 | kPa | 432.59 | Calculated Property |
| Pvap | 88.71 | kPa | 446.72 | Calculated Property |
| Pvap | 136.07 | kPa | 460.84 | Calculated Property |
| Pvap | 202.63 | kPa | 474.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octanol, (S)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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