- InChI
- InChI=1S/C13H24O6/c1-5-10(16-3)8-18-12(14)7-13(15)19-9-11(6-2)17-4/h10-11H,5-9H2,1-4H3
- InChI Key
- JYAASPUOYXRCNI-UHFFFAOYSA-N
- Formula
- C13H24O6
- SMILES
- CCC(COC(=O)CC(=O)OCC(CC)OC)OC
- Molecular Weight1
- 276.33
- 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 | 0.7573 | Relay (1.0) Calculated Property | |
| ΔfG° | -624.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1208.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.313 | Crippen Calculated Property | |
| McVol | 220.650 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [1430.00; 1430.00] |
|
|
| Inp | 1430.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Tboil | 575.26 | K | Relay (1.0) Calculated Property |
| Tc | 725.10 | K | Relay (1.0) Calculated Property |
| Tfus | 214.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.72; 705.45] | J/mol×K | [693.38; 874.82] |
|
| Cp,gas | 625.72 | J/mol×K | 693.38 | Joback Calculated Property |
| Cp,gas | 640.95 | J/mol×K | 723.62 | Joback Calculated Property |
| Cp,gas | 655.43 | J/mol×K | 753.86 | Joback Calculated Property |
| Cp,gas | 669.14 | J/mol×K | 784.10 | Joback Calculated Property |
| Cp,gas | 682.05 | J/mol×K | 814.34 | Joback Calculated Property |
| Cp,gas | 694.16 | J/mol×K | 844.58 | Joback Calculated Property |
| Cp,gas | 705.45 | J/mol×K | 874.82 | Joback Calculated Property |
| η | [0.0000688; 0.0011558] | Pa×s | [395.05; 693.38] |
|
| η | 0.0011558 | Pa×s | 395.05 | Joback Calculated Property |
| η | 0.0005552 | Pa×s | 444.77 | Joback Calculated Property |
| η | 0.0003091 | Pa×s | 494.49 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 544.22 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 593.94 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 643.66 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 693.38 | Joback Calculated Property |
Similar Compounds
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Sources
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