- InChI
- InChI=1S/C13H26O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10-12,14H,5-9H2,1-4H3
- InChI Key
- UZWOWEPOVKVMEL-UHFFFAOYSA-N
- Formula
- C13H26O
- SMILES
- CC(O)CCC1C(C)CCCC1(C)C
- Molecular Weight1
- 198.34
- CAS
- 4361-23-3
- Other Names
-
- Tetrahydroionol
- 4-(2,2,6-Trimethylcyclohexyl)-2-butanol
- «alpha»,2,2,6-tetramethylcyclohexanepropanol
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -77.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 189.040 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | [1424.00; 1432.80] |
|
|
| Inp | 1424.00 | NIST | |
| Inp | 1432.80 | NIST | |
| Inp | 1424.00 | NIST | |
| Tboil | 599.03 | K | Joback Calculated Property |
| Tc | 788.62 | K | Joback Calculated Property |
| Tfus | 304.89 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.37; 623.65] | J/mol×K | [599.03; 788.62] |
|
| Cp,gas | 522.37 | J/mol×K | 599.03 | Joback Calculated Property |
| Cp,gas | 541.27 | J/mol×K | 630.63 | Joback Calculated Property |
| Cp,gas | 559.26 | J/mol×K | 662.23 | Joback Calculated Property |
| Cp,gas | 576.42 | J/mol×K | 693.83 | Joback Calculated Property |
| Cp,gas | 592.82 | J/mol×K | 725.43 | Joback Calculated Property |
| Cp,gas | 608.54 | J/mol×K | 757.02 | Joback Calculated Property |
| Cp,gas | 623.65 | J/mol×K | 788.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanepropanol, «alpha»,2,2,6-tetramethyl-.
Sources
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