- InChI
- InChI=1S/C11H22O3/c1-3-4-5-11(6-8-13-2)7-9-14-10-12/h10-11H,3-9H2,1-2H3
- InChI Key
- KZHUKYRURXWMAZ-UHFFFAOYSA-N
- Formula
- C11H22O3
- SMILES
- CCCCC(CCOC)CCOC=O
- Molecular Weight1
- 202.29
- 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 | 0.6320 | Relay (... Calculated Property | |
| ΔfG° | -270.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.82 | kJ/mol | Relay (... Calculated Property |
| IE | 9.71 | eV | Relay (... Calculated Property |
| log10WS | -2.64 | Relay (... Calculated Property | |
| logPoct/wat | 2.392 | Crippen Calculated Property | |
| McVol | 179.160 | ml/mol | McGowan Calculated Property |
| Pc | 2018.13 | kPa | Joback Calculated Property |
| Inp | 1378.00 | NIST | |
| Tboil | 516.60 | K | Relay (... Calculated Property |
| Tc | 676.99 | K | Relay (... Calculated Property |
| Tfus | 222.21 | K | Relay (... Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.81; 523.19] | J/mol×K | [544.14; 714.09] | 
|
| Cp,gas | 442.81 | J/mol×K | 544.14 | Joback Calculated Property |
| Cp,gas | 457.55 | J/mol×K | 572.47 | Joback Calculated Property |
| Cp,gas | 471.75 | J/mol×K | 600.79 | Joback Calculated Property |
| Cp,gas | 485.41 | J/mol×K | 629.12 | Joback Calculated Property |
| Cp,gas | 498.54 | J/mol×K | 657.44 | Joback Calculated Property |
| Cp,gas | 511.13 | J/mol×K | 685.77 | Joback Calculated Property |
| Cp,gas | 523.19 | J/mol×K | 714.09 | Joback Calculated Property |
| η | [0.0001708; 0.0035648] | Pa×s | [285.19; 544.14] |
|
| η | 0.0035648 | Pa×s | 285.19 | Joback Calculated Property |
| η | 0.0015402 | Pa×s | 328.35 | Joback Calculated Property |
| η | 0.0008087 | Pa×s | 371.51 | Joback Calculated Property |
| η | 0.0004856 | Pa×s | 414.66 | Joback Calculated Property |
| η | 0.0003210 | Pa×s | 457.82 | Joback Calculated Property |
| η | 0.0002279 | Pa×s | 500.98 | Joback Calculated Property |
| η | 0.0001708 | Pa×s | 544.14 | Joback Calculated Property |
Similar Compounds
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Sources
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