- InChI
- InChI=1S/C13H22O4/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3H,1,4-11H2,2H3
- InChI Key
- YXGWLPLHOXJMFK-UHFFFAOYSA-N
- Formula
- C13H22O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCC
- Molecular Weight1
- 242.31
- 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 | 0.7422 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [1659.00; 1659.00] |
|
|
| Inp | 1659.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Tboil | 559.88 | K | Relay (1.0) Calculated Property |
| Tc | 720.35 | K | Relay (1.0) Calculated Property |
| Tfus | 245.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.767 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.83; 623.32] | J/mol×K | [646.10; 824.98] |
|
| Cp,gas | 545.83 | J/mol×K | 646.10 | Joback Calculated Property |
| Cp,gas | 560.42 | J/mol×K | 675.91 | Joback Calculated Property |
| Cp,gas | 574.33 | J/mol×K | 705.73 | Joback Calculated Property |
| Cp,gas | 587.56 | J/mol×K | 735.54 | Joback Calculated Property |
| Cp,gas | 600.14 | J/mol×K | 765.35 | Joback Calculated Property |
| Cp,gas | 612.06 | J/mol×K | 795.17 | Joback Calculated Property |
| Cp,gas | 623.32 | J/mol×K | 824.98 | Joback Calculated Property |
| η | [0.0001417; 0.0015761] | Pa×s | [378.83; 646.10] |
|
| η | 0.0015761 | Pa×s | 378.83 | Joback Calculated Property |
| η | 0.0008541 | Pa×s | 423.38 | Joback Calculated Property |
| η | 0.0005201 | Pa×s | 467.92 | Joback Calculated Property |
| η | 0.0003453 | Pa×s | 512.46 | Joback Calculated Property |
| η | 0.0002447 | Pa×s | 557.01 | Joback Calculated Property |
| η | 0.0001825 | Pa×s | 601.55 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 646.10 | Joback Calculated Property |
Similar Compounds
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Sources
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