- InChI
- InChI=1S/C16H18O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
- InChI Key
- WGWANJWSOTWBIZ-GGWOSOGESA-N
- Formula
- C16H18O4
- SMILES
-
CC=CCOC(=O)c1ccc(C(=O)OCC=CC)c
c1 - Molecular Weight1
- 274.31
- 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° | -120.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.18 | Crippen Calculated Property | |
| logPoct/wat | 3.152 | Crippen Calculated Property | |
| McVol | 218.820 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | 2187.00 | NIST | |
| Tboil | 758.04 | K | Joback Calculated Property |
| Tc | 972.83 | K | Joback Calculated Property |
| Tfus | 443.18 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.23; 670.20] | J/mol×K | [758.04; 972.83] | 
|
| Cp,gas | 599.23 | J/mol×K | 758.04 | Joback Calculated Property |
| Cp,gas | 613.29 | J/mol×K | 793.84 | Joback Calculated Property |
| Cp,gas | 626.40 | J/mol×K | 829.64 | Joback Calculated Property |
| Cp,gas | 638.61 | J/mol×K | 865.44 | Joback Calculated Property |
| Cp,gas | 649.95 | J/mol×K | 901.24 | Joback Calculated Property |
| Cp,gas | 660.47 | J/mol×K | 937.03 | Joback Calculated Property |
| Cp,gas | 670.20 | J/mol×K | 972.83 | Joback Calculated Property |
| η | [0.0000701; 0.0007221] | Pa×s | [443.18; 758.04] |
|
| η | 0.0007221 | Pa×s | 443.18 | Joback Calculated Property |
| η | 0.0003985 | Pa×s | 495.66 | Joback Calculated Property |
| η | 0.0002465 | Pa×s | 548.13 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 600.61 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 653.09 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 705.56 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 758.04 | Joback Calculated Property |
Similar Compounds
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Sources
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