- InChI
- InChI=1S/C9H18O/c1-9(10)7-5-3-2-4-6-8-9/h10H,2-8H2,1H3
- InChI Key
- YCICXFIRAMLYDV-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CC1(O)CCCCCCC1
- Molecular Weight1
- 142.24
- CAS
- 59123-41-0
- Other Names
-
- Cyclooctanol, 1-methyl-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4986 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.482 | Crippen Calculated Property | |
| McVol | 132.680 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [1121.00; 1121.00] |
|
|
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Tboil | 475.70 | K | Relay (1.0) Calculated Property |
| Tc | 687.15 | K | Relay (1.0) Calculated Property |
| Tfus | 308.00 ± 3.00 | K | NIST |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l 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 |
|---|---|---|---|---|
| Cp,gas | [321.53; 412.02] | J/mol×K | [526.03; 736.38] |
|
| Cp,gas | 321.53 | J/mol×K | 526.03 | Joback Calculated Property |
| Cp,gas | 338.90 | J/mol×K | 561.09 | Joback Calculated Property |
| Cp,gas | 355.23 | J/mol×K | 596.15 | Joback Calculated Property |
| Cp,gas | 370.62 | J/mol×K | 631.21 | Joback Calculated Property |
| Cp,gas | 385.15 | J/mol×K | 666.27 | Joback Calculated Property |
| Cp,gas | 398.92 | J/mol×K | 701.32 | Joback Calculated Property |
| Cp,gas | 412.02 | J/mol×K | 736.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylcyclooctanol.
Sources
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