- InChI
- InChI=1S/C8H16O/c1-8(2,3)6-4-7(9)5-6/h6-7,9H,4-5H2,1-3H3/t6-,7+
- InChI Key
- QTUJAHPEPCHIKC-KNVOCYPGSA-N
- Formula
- C8H16O
- SMILES
- CC(C)(C)C1CC(O)C1
- Molecular Weight1
- 128.21
- CAS
- 20588-76-5
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -76.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.56 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Tboil | 477.73 | K | Joback Calculated Property |
| Tc | 665.75 | K | Joback Calculated Property |
| Tfus | 253.34 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.61; 354.98] | J/mol×K | [477.73; 665.75] | 
|
| Cp,gas | 278.61 | J/mol×K | 477.73 | Joback Calculated Property |
| Cp,gas | 293.25 | J/mol×K | 509.07 | Joback Calculated Property |
| Cp,gas | 307.08 | J/mol×K | 540.40 | Joback Calculated Property |
| Cp,gas | 320.13 | J/mol×K | 571.74 | Joback Calculated Property |
| Cp,gas | 332.43 | J/mol×K | 603.08 | Joback Calculated Property |
| Cp,gas | 344.04 | J/mol×K | 634.41 | Joback Calculated Property |
| Cp,gas | 354.98 | J/mol×K | 665.75 | Joback Calculated Property |
| η | [0.0002827; 0.0277371] | Pa×s | [253.34; 477.73] |
|
| η | 0.0277371 | Pa×s | 253.34 | Joback Calculated Property |
| η | 0.0078992 | Pa×s | 290.74 | Joback Calculated Property |
| η | 0.0029953 | Pa×s | 328.14 | Joback Calculated Property |
| η | 0.0013851 | Pa×s | 365.53 | Joback Calculated Property |
| η | 0.0007391 | Pa×s | 402.93 | Joback Calculated Property |
| η | 0.0004388 | Pa×s | 440.33 | Joback Calculated Property |
| η | 0.0002827 | Pa×s | 477.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanol, 3-tert-butyl-, cis-.
Sources
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