- InChI
- InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
- InChI Key
- FHADSMKORVFYOS-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- OC1CCCCCCC1
- Molecular Weight1
- 128.21
- CAS
- 696-71-9
- Other Names
-
- Cyclooctanol
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4758 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | [-1.29; -1.29] |
|
|
| log10WS | -1.29 | Aq. Solubility Prediction | |
| log10WS | -1.29 | Estimated Solubility | |
| logPoct/wat | 2.092 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Inp | [1131.40; 1155.00] |
|
|
| Inp | 1131.40 | NIST | |
| Inp | 1147.30 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Ip | [1640.80; 1700.00] |
|
|
| Ip | 1640.80 | NIST | |
| Ip | 1700.00 | NIST | |
| Ip | 1640.80 | NIST | |
| Tboil | 477.18 | K | Relay (1.0) Calculated Property |
| Tc | 699.37 | K | Relay (1.0) Calculated Property |
| Tfus | [288.15; 291.52] | K |
|
| Tfus | 288.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 291.52 | K | Aq. Solubility Prediction |
| Ttriple | 263.56 | K | Heat capacities of selected cycloalcohols |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [1.97; 2.12] | kJ/mol | [261.30; 297.10] |
|
| ΔfusH | 2.12 | kJ/mol | 261.30 | NIST |
| ΔfusH | 2.02 | kJ/mol | 291.20 | NIST |
| ΔfusH | 2.06 | kJ/mol | 295.00 | NIST |
| ΔfusH | 2.06 | kJ/mol | 295.00 | NIST |
| ΔfusH | 1.97 | kJ/mol | 297.10 | NIST |
| ΔfusS | [6.98; 8.11] | J/mol×K | [261.30; 295.00] |
|
| ΔfusS | 8.11 | J/mol×K | 261.30 | NIST |
| ΔfusS | 6.98 | J/mol×K | 295.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.79; 439.36] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.49400e+01 | |||
| Coefficient B | 9.00700e-01 | |||
| Coefficient C | -4.30000e-04 | |||
| Coefficient D | 4.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 280.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 351.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 379.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 403.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 423.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 439.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0144640; 0.0001220] | Pa×s | [289.83; 495.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.57403e+01 | |||
| Coefficient B | 3.33432e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 289.83 | |||
| Temperature range, max. | 495.55 | |||
| η | 0.0144640 | Pa×s | 289.83 | Calculated Property |
| η | 0.0062385 | Pa×s | 312.69 | Calculated Property |
| η | 0.0030173 | Pa×s | 335.55 | Calculated Property |
| η | 0.0016010 | Pa×s | 358.41 | Calculated Property |
| η | 0.0009166 | Pa×s | 381.26 | Calculated Property |
| η | 0.0005589 | Pa×s | 404.12 | Calculated Property |
| η | 0.0003594 | Pa×s | 426.98 | Calculated Property |
| η | 0.0002417 | Pa×s | 449.83 | Calculated Property |
| η | 0.0001689 | Pa×s | 472.69 | Calculated Property |
| η | 0.0001220 | Pa×s | 495.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclooctyl alcohol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Partial molar volumes of organic solutes in water. XIX. Cyclic alcohols(aq) at T = (298 to 573) K and at pressures up to 30 MPa
- Heat capacities of selected cycloalcohols
- Partial Molar Volumes of Cyclic Alcohols at Infinite Dilution in Water at Temperatures T ) (298 to 373) K and Pressure of 0.5 MPa
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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