- InChI
- InChI=1S/C14H28O3/c1-9(2)11(8-15)12(14(5,6)7)17-13(16)10(3)4/h9-12,15H,8H2,1-7H3
- InChI Key
- TUFUAULJMNPJTI-UHFFFAOYSA-N
- Formula
- C14H28O3
- SMILES
-
CC(C)C(=O)OC(C(CO)C(C)C)C(C)(C
)C - Molecular Weight1
- 244.37
- 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° | -310.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 221.430 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | [1389.00; 1389.00] |
|
|
| Inp | 1389.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Tboil | 683.20 | K | Joback Calculated Property |
| Tc | 864.80 | K | Joback Calculated Property |
| Tfus | 322.94 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.87; 725.62] | J/mol×K | [683.20; 864.80] |
|
| Cp,gas | 641.87 | J/mol×K | 683.20 | Joback Calculated Property |
| Cp,gas | 657.83 | J/mol×K | 713.47 | Joback Calculated Property |
| Cp,gas | 672.94 | J/mol×K | 743.73 | Joback Calculated Property |
| Cp,gas | 687.25 | J/mol×K | 774.00 | Joback Calculated Property |
| Cp,gas | 700.79 | J/mol×K | 804.27 | Joback Calculated Property |
| Cp,gas | 713.57 | J/mol×K | 834.53 | Joback Calculated Property |
| Cp,gas | 725.62 | J/mol×K | 864.80 | Joback Calculated Property |
| η | [0.0000235; 0.0192254] | Pa×s | [322.94; 683.20] |
|
| η | 0.0192254 | Pa×s | 322.94 | Joback Calculated Property |
| η | 0.0026162 | Pa×s | 382.98 | Joback Calculated Property |
| η | 0.0006113 | Pa×s | 443.03 | Joback Calculated Property |
| η | 0.0002021 | Pa×s | 503.07 | Joback Calculated Property |
| η | 0.0000846 | Pa×s | 563.11 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 623.16 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 683.20 | Joback Calculated Property |
Similar Compounds
Sources
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