- InChI
- InChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2
- InChI Key
- IZSANPWSFUSNMY-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- OC1CCCC(O)C1O
- Molecular Weight1
- 132.16
- CAS
- 6286-43-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -539.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.747 | Crippen Calculated Property | |
| McVol | 102.150 | ml/mol | McGowan Calculated Property |
| Tboil | 566.28 | K | Relay (1.0) Calculated Property |
| Tfus | 340.15 ± 2.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.87; 344.44] | J/mol×K | [623.43; 799.96] | 
|
| Cp,gas | 292.87 | J/mol×K | 623.43 | Joback Calculated Property |
| Cp,gas | 302.66 | J/mol×K | 652.85 | Joback Calculated Property |
| Cp,gas | 311.96 | J/mol×K | 682.27 | Joback Calculated Property |
| Cp,gas | 320.78 | J/mol×K | 711.70 | Joback Calculated Property |
| Cp,gas | 329.13 | J/mol×K | 741.12 | Joback Calculated Property |
| Cp,gas | 337.02 | J/mol×K | 770.54 | Joback Calculated Property |
| Cp,gas | 344.44 | J/mol×K | 799.96 | Joback Calculated Property |
| η | [0.0000159; 0.0329758] | Pa×s | [338.74; 623.43] |
|
| η | 0.0329758 | Pa×s | 338.74 | Joback Calculated Property |
| η | 0.0042281 | Pa×s | 386.19 | Joback Calculated Property |
| η | 0.0008498 | Pa×s | 433.64 | Joback Calculated Property |
| η | 0.0002344 | Pa×s | 481.09 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 528.53 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 575.98 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 623.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Cyclohexanetriol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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