- InChI
- InChI=1S/C8H16O2/c1-6(2)8(7(3)4)10-5-9/h5-8H,1-4H3
- InChI Key
- BATCZJUOZNYSLS-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)C(OC=O)C(C)C
- Molecular Weight1
- 144.21
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -195.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.840 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | 975.00 | NIST | |
| Tboil | 452.20 | K | Joback Calculated Property |
| Tc | 634.23 | K | Joback Calculated Property |
| Tfus | 199.15 | K | Joback Calculated Property |
| Vc | 0.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.20; 351.56] | J/mol×K | [452.20; 634.23] | 
|
| Cp,gas | 281.20 | J/mol×K | 452.20 | Joback Calculated Property |
| Cp,gas | 294.14 | J/mol×K | 482.54 | Joback Calculated Property |
| Cp,gas | 306.58 | J/mol×K | 512.88 | Joback Calculated Property |
| Cp,gas | 318.55 | J/mol×K | 543.21 | Joback Calculated Property |
| Cp,gas | 330.03 | J/mol×K | 573.55 | Joback Calculated Property |
| Cp,gas | 341.03 | J/mol×K | 603.89 | Joback Calculated Property |
| Cp,gas | 351.56 | J/mol×K | 634.23 | Joback Calculated Property |
| η | [0.0002375; 0.0157115] | Pa×s | [199.15; 452.20] |
|
| η | 0.0157115 | Pa×s | 199.15 | Joback Calculated Property |
| η | 0.0042426 | Pa×s | 241.32 | Joback Calculated Property |
| η | 0.0016913 | Pa×s | 283.50 | Joback Calculated Property |
| η | 0.0008556 | Pa×s | 325.68 | Joback Calculated Property |
| η | 0.0005060 | Pa×s | 367.85 | Joback Calculated Property |
| η | 0.0003334 | Pa×s | 410.02 | Joback Calculated Property |
| η | 0.0002375 | Pa×s | 452.20 | Joback Calculated Property |
Similar Compounds
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Sources
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