- InChI
- InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3
- InChI Key
- DZTRDRPCROOSOG-UHFFFAOYSA-N
- Formula
- C18H18O5
- SMILES
-
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)
c(C)c3O2)cc1 - Molecular Weight1
- 314.33
- CAS
- 95273-01-1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8903 | Relay (... Calculated Property | |
| ΔfG° | -287.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.59 | kJ/mol | Relay (... Calculated Property |
| IE | 7.59 | eV | Relay (... Calculated Property |
| log10WS | -3.93 | Relay (... Calculated Property | |
| logPoct/wat | 3.430 | Crippen Calculated Property | |
| McVol | 231.150 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Inp | 2881.20 | NIST | |
| Tboil | 656.62 | K | Relay (... Calculated Property |
| Tc | 1022.76 | K | Relay (... Calculated Property |
| Tfus | 458.42 | K | Relay (... Calculated Property |
| Vc | 0.836 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.31; 839.23] | J/mol×K | [973.96; 1234.97] | 
|
| Cp,gas | 753.31 | J/mol×K | 973.96 | Joback Calculated Property |
| Cp,gas | 768.16 | J/mol×K | 1017.46 | Joback Calculated Property |
| Cp,gas | 782.59 | J/mol×K | 1060.96 | Joback Calculated Property |
| Cp,gas | 796.76 | J/mol×K | 1104.47 | Joback Calculated Property |
| Cp,gas | 810.82 | J/mol×K | 1147.97 | Joback Calculated Property |
| Cp,gas | 824.92 | J/mol×K | 1191.47 | Joback Calculated Property |
| Cp,gas | 839.23 | J/mol×K | 1234.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Dihydroxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-.
Sources
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