- InChI
- InChI=1S/C15H20O4/c1-3-18-14(16)8-5-9-15(17)19-11-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3
- InChI Key
- XRVIJHSEJSSARH-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
- CCOC(=O)CCCC(=O)OCc1cccc(C)c1
- Molecular Weight1
- 264.32
- 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° | -289.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.772 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [2175.00; 2175.00] |
|
|
| Inp | 2175.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Tboil | 726.84 | K | Joback Calculated Property |
| Tc | 930.46 | K | Joback Calculated Property |
| Tfus | 442.07 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.63; 668.51] | J/mol×K | [726.84; 930.46] |
|
| Cp,gas | 593.63 | J/mol×K | 726.84 | Joback Calculated Property |
| Cp,gas | 608.41 | J/mol×K | 760.78 | Joback Calculated Property |
| Cp,gas | 622.26 | J/mol×K | 794.71 | Joback Calculated Property |
| Cp,gas | 635.18 | J/mol×K | 828.65 | Joback Calculated Property |
| Cp,gas | 647.19 | J/mol×K | 862.59 | Joback Calculated Property |
| Cp,gas | 658.30 | J/mol×K | 896.52 | Joback Calculated Property |
| Cp,gas | 668.51 | J/mol×K | 930.46 | Joback Calculated Property |
| η | [0.0001057; 0.0009203] | Pa×s | [442.07; 726.84] |
|
| η | 0.0009203 | Pa×s | 442.07 | Joback Calculated Property |
| η | 0.0005387 | Pa×s | 489.53 | Joback Calculated Property |
| η | 0.0003467 | Pa×s | 536.99 | Joback Calculated Property |
| η | 0.0002396 | Pa×s | 584.46 | Joback Calculated Property |
| η | 0.0001751 | Pa×s | 631.92 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 679.38 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 726.84 | Joback Calculated Property |
Similar Compounds
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Sources
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