- InChI
- InChI=1S/C15H18O4/c1-3-5-11-19-15(17)13-8-6-12(7-9-13)14(16)18-10-4-2/h3,6-9H,1,4-5,10-11H2,2H3
- InChI Key
- CKYKRJSNKQFRSU-UHFFFAOYSA-N
- Formula
- C15H18O4
- SMILES
- C=CCCOC(=O)c1ccc(C(=O)OCCC)cc1
- Molecular Weight1
- 262.30
- 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° | -201.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 2.986 | Crippen Calculated Property | |
| McVol | 209.030 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | [1999.00; 1999.00] |
|
|
| Inp | 1999.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Tboil | 723.52 | K | Joback Calculated Property |
| Tc | 930.26 | K | Joback Calculated Property |
| Tfus | 440.31 | K | Joback Calculated Property |
| Vc | 0.796 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.26; 641.02] | J/mol×K | [723.52; 930.26] |
|
| Cp,gas | 569.26 | J/mol×K | 723.52 | Joback Calculated Property |
| Cp,gas | 583.49 | J/mol×K | 757.98 | Joback Calculated Property |
| Cp,gas | 596.78 | J/mol×K | 792.43 | Joback Calculated Property |
| Cp,gas | 609.17 | J/mol×K | 826.89 | Joback Calculated Property |
| Cp,gas | 620.66 | J/mol×K | 861.35 | Joback Calculated Property |
| Cp,gas | 631.28 | J/mol×K | 895.80 | Joback Calculated Property |
| Cp,gas | 641.02 | J/mol×K | 930.26 | Joback Calculated Property |
| η | [0.0001117; 0.0009235] | Pa×s | [440.31; 723.52] |
|
| η | 0.0009235 | Pa×s | 440.31 | Joback Calculated Property |
| η | 0.0005476 | Pa×s | 487.51 | Joback Calculated Property |
| η | 0.0003561 | Pa×s | 534.71 | Joback Calculated Property |
| η | 0.0002483 | Pa×s | 581.91 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 629.12 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 676.32 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 723.52 | Joback Calculated Property |
Similar Compounds
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Sources
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