- InChI
- InChI=1S/C16H20O5/c1-5-10-20-14(18)16(3,4)15(19)21-13-8-6-12(7-9-13)11(2)17/h6-9H,5,10H2,1-4H3
- InChI Key
- ATCKDCIGTISFHB-UHFFFAOYSA-N
- Formula
- C16H20O5
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)Oc1ccc(C(
C)=O)cc1 - Molecular Weight1
- 292.33
- 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° | -407.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 2.774 | Crippen Calculated Property | |
| McVol | 228.990 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | 2070.00 | NIST | |
| Tboil | 800.36 | K | Joback Calculated Property |
| Tc | 1016.96 | K | Joback Calculated Property |
| Tfus | 505.69 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.20; 732.66] | J/mol×K | [800.36; 1016.96] | 
|
| Cp,gas | 666.20 | J/mol×K | 800.36 | Joback Calculated Property |
| Cp,gas | 679.88 | J/mol×K | 836.46 | Joback Calculated Property |
| Cp,gas | 692.47 | J/mol×K | 872.56 | Joback Calculated Property |
| Cp,gas | 704.02 | J/mol×K | 908.66 | Joback Calculated Property |
| Cp,gas | 714.54 | J/mol×K | 944.76 | Joback Calculated Property |
| Cp,gas | 724.07 | J/mol×K | 980.86 | Joback Calculated Property |
| Cp,gas | 732.66 | J/mol×K | 1016.96 | Joback Calculated Property |
| η | [0.0000733; 0.0006620] | Pa×s | [505.69; 800.36] |
|
| η | 0.0006620 | Pa×s | 505.69 | Joback Calculated Property |
| η | 0.0003900 | Pa×s | 554.80 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 603.91 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 653.02 | Joback Calculated Property |
| η | 0.0001243 | Pa×s | 702.14 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 751.25 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 800.36 | Joback Calculated Property |
Similar Compounds
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Sources
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