- InChI
- InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-9-11-15(17)19-13-7-5-2/h5,14H,2,4,6-13H2,1,3H3
- InChI Key
- GHYSGUSPYYJFSL-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
- C=CCCOC(=O)CCCC(=O)OC(C)CCCCC
- Molecular Weight1
- 284.39
- 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 | 0.8108 | Relay (... Calculated Property | |
| ΔfG° | -298.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -903.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.00 | kJ/mol | Relay (... Calculated Property |
| IE | 9.49 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.788 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1465.73 | kPa | Joback Calculated Property |
| Inp | [1943.00; 1943.00] |
|
|
| Inp | 1943.00 | NIST | |
| Inp | 1943.00 | NIST | |
| Tboil | 583.95 | K | Relay (... Calculated Property |
| Tc | 742.27 | K | Relay (... Calculated Property |
| Tfus | 234.65 | K | Relay (... Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.52; 794.81] | J/mol×K | [714.30; 894.16] |
|
| Cp,gas | 709.52 | J/mol×K | 714.30 | Joback Calculated Property |
| Cp,gas | 725.77 | J/mol×K | 744.28 | Joback Calculated Property |
| Cp,gas | 741.19 | J/mol×K | 774.25 | Joback Calculated Property |
| Cp,gas | 755.79 | J/mol×K | 804.23 | Joback Calculated Property |
| Cp,gas | 769.59 | J/mol×K | 834.21 | Joback Calculated Property |
| Cp,gas | 782.59 | J/mol×K | 864.18 | Joback Calculated Property |
| Cp,gas | 794.81 | J/mol×K | 894.16 | Joback Calculated Property |
| η | [0.0000905; 0.0015131] | Pa×s | [397.64; 714.30] |
|
| η | 0.0015131 | Pa×s | 397.64 | Joback Calculated Property |
| η | 0.0007187 | Pa×s | 450.42 | Joback Calculated Property |
| η | 0.0003991 | Pa×s | 503.19 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 555.97 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 608.75 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 661.52 | Joback Calculated Property |
| η | 0.0000905 | Pa×s | 714.30 | Joback Calculated Property |
Similar Compounds
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Sources
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