- InChI
- InChI=1S/C9H18O2/c1-8(6-11-7-10)5-9(2,3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- RVKSKVZDYHFUFB-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CC(COC=O)CC(C)(C)C
- Molecular Weight1
- 158.24
- 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 | 0.4673 | Relay (... Calculated Property | |
| ΔfG° | -179.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.77 | kJ/mol | Relay (... Calculated Property |
| IE | 9.88 | eV | Relay (... Calculated Property |
| log10WS | -2.87 | Relay (... Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | 1007.00 | NIST | |
| Tboil | 444.82 | K | Relay (... Calculated Property |
| Tc | 610.46 | K | Relay (... Calculated Property |
| Tfus | 209.18 | K | Relay (... Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.63; 403.35] | J/mol×K | [472.73; 656.21] | 
|
| Cp,gas | 326.63 | J/mol×K | 472.73 | Joback Calculated Property |
| Cp,gas | 341.02 | J/mol×K | 503.31 | Joback Calculated Property |
| Cp,gas | 354.74 | J/mol×K | 533.89 | Joback Calculated Property |
| Cp,gas | 367.81 | J/mol×K | 564.47 | Joback Calculated Property |
| Cp,gas | 380.26 | J/mol×K | 595.05 | Joback Calculated Property |
| Cp,gas | 392.10 | J/mol×K | 625.63 | Joback Calculated Property |
| Cp,gas | 403.35 | J/mol×K | 656.21 | Joback Calculated Property |
| η | [0.0002453; 0.0081761] | Pa×s | [242.84; 472.73] |
|
| η | 0.0081761 | Pa×s | 242.84 | Joback Calculated Property |
| η | 0.0030606 | Pa×s | 281.15 | Joback Calculated Property |
| η | 0.0014502 | Pa×s | 319.47 | Joback Calculated Property |
| η | 0.0008064 | Pa×s | 357.78 | Joback Calculated Property |
| η | 0.0005023 | Pa×s | 396.10 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 434.41 | Joback Calculated Property |
| η | 0.0002453 | Pa×s | 472.73 | Joback Calculated Property |
Similar Compounds
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Sources
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