- InChI
- InChI=1S/C16H14O4/c1-11(17)20-15-9-8-13(19-2)10-14(15)16(18)12-6-4-3-5-7-12/h3-10H,1-2H3
- InChI Key
- LSAOBOVPVPSBSX-UHFFFAOYSA-N
- Formula
- C16H14O4
- SMILES
-
COc1ccc(OC(C)=O)c(C(=O)c2ccccc
2)c1 - Molecular Weight1
- 270.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7249 | Relay (... Calculated Property | |
| ΔfG° | -178.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.70 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.18 | eV | Relay (... Calculated Property |
| log10WS | -3.71 | Relay (... Calculated Property | |
| logPoct/wat | 2.851 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [2090.00; 2090.00] |
|
|
| Inp | 2090.00 | NIST | |
| Inp | 2090.00 | NIST | |
| Inp | 2090.00 | NIST | |
| Tboil | 644.26 | K | Relay (... Calculated Property |
| Tc | 887.80 | K | Relay (... Calculated Property |
| Tfus | 348.11 | K | Relay (... Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.14; 620.03] | J/mol×K | [781.38; 1018.00] |
|
| Cp,gas | 557.14 | J/mol×K | 781.38 | Joback Calculated Property |
| Cp,gas | 570.55 | J/mol×K | 820.82 | Joback Calculated Property |
| Cp,gas | 582.77 | J/mol×K | 860.25 | Joback Calculated Property |
| Cp,gas | 593.81 | J/mol×K | 899.69 | Joback Calculated Property |
| Cp,gas | 603.68 | J/mol×K | 939.12 | Joback Calculated Property |
| Cp,gas | 612.41 | J/mol×K | 978.56 | Joback Calculated Property |
| Cp,gas | 620.03 | J/mol×K | 1018.00 | Joback Calculated Property |
| η | [0.0000953; 0.0006325] | Pa×s | [492.28; 781.38] |
|
| η | 0.0006325 | Pa×s | 492.28 | Joback Calculated Property |
| η | 0.0004009 | Pa×s | 540.46 | Joback Calculated Property |
| η | 0.0002738 | Pa×s | 588.65 | Joback Calculated Property |
| η | 0.0001981 | Pa×s | 636.83 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 685.01 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 733.20 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 781.38 | Joback Calculated Property |
Similar Compounds
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Sources
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