- InChI
- InChI=1S/C20H16O6/c1-11(21)24-16-8-4-6-14-10-15-7-5-9-17(25-12(2)22)19(15)20(18(14)16)26-13(3)23/h4-10H,1-3H3
- InChI Key
- IPWOSICBVUXMML-UHFFFAOYSA-N
- Formula
- C20H16O6
- SMILES
-
CC(=O)Oc1cccc2cc3cccc(OC(C)=O)
c3c(OC(C)=O)c12 - Molecular Weight1
- 352.34
- 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° | -297.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.02 | Crippen Calculated Property | |
| logPoct/wat | 3.769 | Crippen Calculated Property | |
| McVol | 252.300 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | 2802.00 | NIST | |
| Tboil | 970.43 | K | Joback Calculated Property |
| Tc | 1208.79 | K | Joback Calculated Property |
| Tfus | 673.54 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.67; 800.50] | J/mol×K | [970.43; 1208.79] | 
|
| Cp,gas | 753.67 | J/mol×K | 970.43 | Joback Calculated Property |
| Cp,gas | 763.98 | J/mol×K | 1010.16 | Joback Calculated Property |
| Cp,gas | 773.23 | J/mol×K | 1049.88 | Joback Calculated Property |
| Cp,gas | 781.46 | J/mol×K | 1089.61 | Joback Calculated Property |
| Cp,gas | 788.72 | J/mol×K | 1129.34 | Joback Calculated Property |
| Cp,gas | 795.05 | J/mol×K | 1169.06 | Joback Calculated Property |
| Cp,gas | 800.50 | J/mol×K | 1208.79 | Joback Calculated Property |
| η | [0.0001798; 0.0005679] | Pa×s | [673.54; 970.43] |
|
| η | 0.0005679 | Pa×s | 673.54 | Joback Calculated Property |
| η | 0.0004391 | Pa×s | 723.02 | Joback Calculated Property |
| η | 0.0003509 | Pa×s | 772.50 | Joback Calculated Property |
| η | 0.0002881 | Pa×s | 821.99 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 871.47 | Joback Calculated Property |
| η | 0.0002069 | Pa×s | 920.95 | Joback Calculated Property |
| η | 0.0001798 | Pa×s | 970.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthralin, O,O',O''-tri(acetyl)-.
Sources
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