- InChI
- InChI=1S/C19H16O5/c1-11(20)23-15-8-6-13-4-5-14-7-9-17(22-3)19(24-12(2)21)18(14)16(13)10-15/h4-10H,1-3H3
- InChI Key
- MYOPYNHXINLPTK-UHFFFAOYSA-N
- Formula
- C19H16O5
- SMILES
-
COc1ccc2ccc3ccc(OC(C)=O)cc3c2c
1OC(C)=O - Molecular Weight1
- 324.33
- 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° | -176.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 3.852 | Crippen Calculated Property | |
| McVol | 236.640 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [2708.00; 2708.00] |
|
|
| Inp | 2708.00 | NIST | |
| Inp | 2708.00 | NIST | |
| Tboil | 893.68 | K | Joback Calculated Property |
| Tc | 1127.85 | K | Joback Calculated Property |
| Tfus | 612.34 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.69; 747.76] | J/mol×K | [893.68; 1127.85] |
|
| Cp,gas | 690.69 | J/mol×K | 893.68 | Joback Calculated Property |
| Cp,gas | 702.64 | J/mol×K | 932.71 | Joback Calculated Property |
| Cp,gas | 713.56 | J/mol×K | 971.74 | Joback Calculated Property |
| Cp,gas | 723.48 | J/mol×K | 1010.76 | Joback Calculated Property |
| Cp,gas | 732.46 | J/mol×K | 1049.79 | Joback Calculated Property |
| Cp,gas | 740.54 | J/mol×K | 1088.82 | Joback Calculated Property |
| Cp,gas | 747.76 | J/mol×K | 1127.85 | Joback Calculated Property |
| η | [0.0002008; 0.0006195] | Pa×s | [612.34; 893.68] |
|
| η | 0.0006195 | Pa×s | 612.34 | Joback Calculated Property |
| η | 0.0004803 | Pa×s | 659.23 | Joback Calculated Property |
| η | 0.0003852 | Pa×s | 706.12 | Joback Calculated Property |
| η | 0.0003175 | Pa×s | 753.01 | Joback Calculated Property |
| η | 0.0002677 | Pa×s | 799.90 | Joback Calculated Property |
| η | 0.0002300 | Pa×s | 846.79 | Joback Calculated Property |
| η | 0.0002008 | Pa×s | 893.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Diacetoxy-3-methoxyphenanthrene.
Sources
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