- InChI
- InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h4,6-7H,2-3H2,1H3
- InChI Key
- ZSIRHTQYODRYMQ-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC1=CC(O)CC1
- Molecular Weight1
- 98.14
- 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).
- 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).
- I : 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 | 0.4353 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.087 | Crippen Calculated Property | |
| McVol | 86.110 | ml/mol | McGowan Calculated Property |
| Pc | 4438.52 | kPa | Joback Calculated Property |
| I | [1446.00; 1448.00] |
|
|
| I | 1446.00 | NIST | |
| I | 1448.00 | NIST | |
| I | 1446.00 | NIST | |
| Tboil | 427.92 | K | Relay (1.0) Calculated Property |
| Tc | 614.01 | K | Relay (1.0) Calculated Property |
| Tfus | 237.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.312 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.56; 230.83] | J/mol×K | [448.28; 639.05] |
|
| Cp,gas | 175.56 | J/mol×K | 448.28 | Joback Calculated Property |
| Cp,gas | 185.99 | J/mol×K | 480.08 | Joback Calculated Property |
| Cp,gas | 195.91 | J/mol×K | 511.87 | Joback Calculated Property |
| Cp,gas | 205.34 | J/mol×K | 543.67 | Joback Calculated Property |
| Cp,gas | 214.29 | J/mol×K | 575.46 | Joback Calculated Property |
| Cp,gas | 222.78 | J/mol×K | 607.26 | Joback Calculated Property |
| Cp,gas | 230.83 | J/mol×K | 639.05 | Joback Calculated Property |
| η | [0.0002575; 0.0224955] | Pa×s | [242.38; 448.28] |
|
| η | 0.0224955 | Pa×s | 242.38 | Joback Calculated Property |
| η | 0.0067282 | Pa×s | 276.70 | Joback Calculated Property |
| η | 0.0026265 | Pa×s | 311.01 | Joback Calculated Property |
| η | 0.0012361 | Pa×s | 345.33 | Joback Calculated Property |
| η | 0.0006667 | Pa×s | 379.65 | Joback Calculated Property |
| η | 0.0003983 | Pa×s | 413.96 | Joback Calculated Property |
| η | 0.0002575 | Pa×s | 448.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-cylopentanol.
Sources
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