- InChI
- InChI=1S/C8H16O2/c1-7(10-6-9)5-8(2,3)4/h6-7H,5H2,1-4H3
- InChI Key
- HDPIKLHXOVSMRM-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(CC(C)(C)C)OC=O
- Molecular Weight1
- 144.21
- 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).
- 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 | 0.4292 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | 881.00 | NIST | |
| Tboil | 408.46 | K | Relay (1.0) Calculated Property |
| Tc | 576.49 | K | Relay (1.0) Calculated Property |
| Tfus | 239.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.52; 355.12] | J/mol×K | [449.85; 635.11] | 
|
| Cp,gas | 283.52 | J/mol×K | 449.85 | Joback Calculated Property |
| Cp,gas | 296.95 | J/mol×K | 480.73 | Joback Calculated Property |
| Cp,gas | 309.76 | J/mol×K | 511.60 | Joback Calculated Property |
| Cp,gas | 321.96 | J/mol×K | 542.48 | Joback Calculated Property |
| Cp,gas | 333.58 | J/mol×K | 573.36 | Joback Calculated Property |
| Cp,gas | 344.62 | J/mol×K | 604.23 | Joback Calculated Property |
| Cp,gas | 355.12 | J/mol×K | 635.11 | Joback Calculated Property |
| η | [0.0002672; 0.0085994] | Pa×s | [231.57; 449.85] |
|
| η | 0.0085994 | Pa×s | 231.57 | Joback Calculated Property |
| η | 0.0032553 | Pa×s | 267.95 | Joback Calculated Property |
| η | 0.0015545 | Pa×s | 304.33 | Joback Calculated Property |
| η | 0.0008692 | Pa×s | 340.71 | Joback Calculated Property |
| η | 0.0005437 | Pa×s | 377.09 | Joback Calculated Property |
| η | 0.0003694 | Pa×s | 413.47 | Joback Calculated Property |
| η | 0.0002672 | Pa×s | 449.85 | Joback Calculated Property |
Similar Compounds
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Sources
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