- InChI
- InChI=1S/C6H12O/c1-6(2)3-4-7-5-6/h3-5H2,1-2H3
- InChI Key
- WDKUXUZYKCXAHC-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CC1(C)CCOC1
- Molecular Weight1
- 100.16
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.2737 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.433 | Crippen Calculated Property | |
| McVol | 90.410 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | 737.00 | NIST | |
| Tboil | 370.20 | K | Relay (1.0) Calculated Property |
| Tc | 563.85 | K | Relay (1.0) Calculated Property |
| Tfus | 216.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.317 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.14; 239.15] | J/mol×K | [379.15; 584.69] | 
|
| Cp,gas | 166.14 | J/mol×K | 379.15 | Joback Calculated Property |
| Cp,gas | 180.73 | J/mol×K | 413.41 | Joback Calculated Property |
| Cp,gas | 194.23 | J/mol×K | 447.66 | Joback Calculated Property |
| Cp,gas | 206.73 | J/mol×K | 481.92 | Joback Calculated Property |
| Cp,gas | 218.32 | J/mol×K | 516.18 | Joback Calculated Property |
| Cp,gas | 229.09 | J/mol×K | 550.44 | Joback Calculated Property |
| Cp,gas | 239.15 | J/mol×K | 584.69 | Joback Calculated Property |
Similar Compounds
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Sources
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