- InChI
- InChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3
- InChI Key
- KANFKJUPLALTDB-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CC1CCC(O)C1O
- Molecular Weight1
- 116.16
- CAS
- 27583-37-5
- Other Names
-
- 3-Methylcyclopentan-1,2-diol
- 3-Methylcyclopentanediol
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -395.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.67 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 96.280 | ml/mol | McGowan Calculated Property |
| Tboil | 481.19 | K | Relay (1.0) Calculated Property |
| Tfus | 317.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [242.86; 300.67] | J/mol×K | [527.18; 705.43] | 
|
| Cp,gas | 242.86 | J/mol×K | 527.18 | Joback Calculated Property |
| Cp,gas | 253.67 | J/mol×K | 556.89 | Joback Calculated Property |
| Cp,gas | 264.00 | J/mol×K | 586.60 | Joback Calculated Property |
| Cp,gas | 273.86 | J/mol×K | 616.30 | Joback Calculated Property |
| Cp,gas | 283.25 | J/mol×K | 646.01 | Joback Calculated Property |
| Cp,gas | 292.18 | J/mol×K | 675.72 | Joback Calculated Property |
| Cp,gas | 300.67 | J/mol×K | 705.43 | Joback Calculated Property |
| η | [0.0001177; 0.0567325] | Pa×s | [281.44; 527.18] |
|
| η | 0.0567325 | Pa×s | 281.44 | Joback Calculated Property |
| η | 0.0105343 | Pa×s | 322.40 | Joback Calculated Property |
| η | 0.0028590 | Pa×s | 363.35 | Joback Calculated Property |
| η | 0.0010106 | Pa×s | 404.31 | Joback Calculated Property |
| η | 0.0004326 | Pa×s | 445.27 | Joback Calculated Property |
| η | 0.0002136 | Pa×s | 486.22 | Joback Calculated Property |
| η | 0.0001177 | Pa×s | 527.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclopentanediol, 3-methyl-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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