- InChI
- InChI=1S/C6H12O/c1-3-4-5-6(2)7/h4-7H,3H2,1-2H3/b5-4-
- InChI Key
- SMOVOSVEEFIBSP-PLNGDYQASA-N
- Formula
- C6H12O
- SMILES
- CCC=CC(C)O
- Molecular Weight1
- 100.16
- 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).
- 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 | 0.5040 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Inp | [851.00; 853.00] |
|
|
| Inp | 853.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 853.00 | NIST | |
| Tboil | 400.63 | K | Relay (1.0) Calculated Property |
| Tc | 570.78 | K | Relay (1.0) Calculated Property |
| Tfus | 212.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | 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 | [191.94; 242.51] | J/mol×K | [432.78; 605.30] |
|
| Cp,gas | 191.94 | J/mol×K | 432.78 | Joback Calculated Property |
| Cp,gas | 201.38 | J/mol×K | 461.53 | Joback Calculated Property |
| Cp,gas | 210.39 | J/mol×K | 490.29 | Joback Calculated Property |
| Cp,gas | 218.99 | J/mol×K | 519.04 | Joback Calculated Property |
| Cp,gas | 227.20 | J/mol×K | 547.79 | Joback Calculated Property |
| Cp,gas | 235.04 | J/mol×K | 576.55 | Joback Calculated Property |
| Cp,gas | 242.51 | J/mol×K | 605.30 | Joback Calculated Property |
| η | [0.0001921; 0.2423961] | Pa×s | [198.12; 432.78] |
|
| η | 0.2423961 | Pa×s | 198.12 | Joback Calculated Property |
| η | 0.0276468 | Pa×s | 237.23 | Joback Calculated Property |
| η | 0.0058298 | Pa×s | 276.34 | Joback Calculated Property |
| η | 0.0018084 | Pa×s | 315.45 | Joback Calculated Property |
| η | 0.0007262 | Pa×s | 354.56 | Joback Calculated Property |
| η | 0.0003496 | Pa×s | 393.67 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 432.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-Hexen-2-ol.
Sources
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