- InChI
- InChI=1S/C19H18O5/c1-11(20)23-15-6-4-5-13-7-8-14-9-10-16(22-3)19(24-12(2)21)18(14)17(13)15/h4-6,9-10H,7-8H2,1-3H3
- InChI Key
- FCNFMJSSXLYNNN-UHFFFAOYSA-N
- Formula
- C19H18O5
- SMILES
-
COc1ccc2c(c1OC(C)=O)-c1c(cccc1
OC(C)=O)CC2 - Molecular Weight1
- 326.34
- 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° | -206.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Crippen Calculated Property | |
| logPoct/wat | 3.311 | Crippen Calculated Property | |
| McVol | 240.940 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [2227.00; 2227.00] |
|
|
| Inp | 2227.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Tboil | 894.52 | K | Joback Calculated Property |
| Tc | 1127.33 | K | Joback Calculated Property |
| Tfus | 611.58 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.09; 780.83] | J/mol×K | [894.52; 1127.33] |
|
| Cp,gas | 720.09 | J/mol×K | 894.52 | Joback Calculated Property |
| Cp,gas | 732.81 | J/mol×K | 933.32 | Joback Calculated Property |
| Cp,gas | 744.44 | J/mol×K | 972.12 | Joback Calculated Property |
| Cp,gas | 755.01 | J/mol×K | 1010.92 | Joback Calculated Property |
| Cp,gas | 764.58 | J/mol×K | 1049.72 | Joback Calculated Property |
| Cp,gas | 773.17 | J/mol×K | 1088.52 | Joback Calculated Property |
| Cp,gas | 780.83 | J/mol×K | 1127.33 | Joback Calculated Property |
| η | [0.0001852; 0.0006044] | Pa×s | [611.58; 894.52] |
|
| η | 0.0006044 | Pa×s | 611.58 | Joback Calculated Property |
| η | 0.0004624 | Pa×s | 658.74 | Joback Calculated Property |
| η | 0.0003667 | Pa×s | 705.89 | Joback Calculated Property |
| η | 0.0002994 | Pa×s | 753.05 | Joback Calculated Property |
| η | 0.0002503 | Pa×s | 800.21 | Joback Calculated Property |
| η | 0.0002135 | Pa×s | 847.36 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 894.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dihydroxy-3-methoxy-9,10-dihydrophenanthrene, acetylated.
Sources
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