- InChI
- InChI=1S/C15H18O4/c1-3-10-18-14(16)8-9-15(17)19-13-7-5-6-12(4-2)11-13/h5-9,11H,3-4,10H2,1-2H3/b9-8+
- InChI Key
- MALJFZVGSXZHRF-CMDGGOBGSA-N
- Formula
- C15H18O4
- SMILES
- CCCOC(=O)C=CC(=O)Oc1cccc(CC)c1
- 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° | -209.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 2.664 | Crippen Calculated Property | |
| McVol | 209.030 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | 1977.00 | NIST | |
| Tboil | 731.00 | K | Joback Calculated Property |
| Tc | 941.42 | K | Joback Calculated Property |
| Tfus | 436.99 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.67; 641.54] | J/mol×K | [731.00; 941.42] | 
|
| Cp,gas | 569.67 | J/mol×K | 731.00 | Joback Calculated Property |
| Cp,gas | 583.91 | J/mol×K | 766.07 | Joback Calculated Property |
| Cp,gas | 597.21 | J/mol×K | 801.14 | Joback Calculated Property |
| Cp,gas | 609.60 | J/mol×K | 836.21 | Joback Calculated Property |
| Cp,gas | 621.10 | J/mol×K | 871.28 | Joback Calculated Property |
| Cp,gas | 631.74 | J/mol×K | 906.35 | Joback Calculated Property |
| Cp,gas | 641.54 | J/mol×K | 941.42 | Joback Calculated Property |
| η | [0.0000914; 0.0008463] | Pa×s | [436.99; 731.00] |
|
| η | 0.0008463 | Pa×s | 436.99 | Joback Calculated Property |
| η | 0.0004844 | Pa×s | 485.99 | Joback Calculated Property |
| η | 0.0003071 | Pa×s | 534.99 | Joback Calculated Property |
| η | 0.0002102 | Pa×s | 584.00 | Joback Calculated Property |
| η | 0.0001526 | Pa×s | 633.00 | Joback Calculated Property |
| η | 0.0001160 | Pa×s | 682.00 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 731.00 | Joback Calculated Property |
Similar Compounds
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Sources
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