![1,3-Benzenediol, 4-[(3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-](/cid/80-449-5/1-3-Benzenediol-4-3R-3-4-dihydro-8-8-dimethyl-2H-8H-benzo-1-2-b-3-4-b-dipyran-3-yl.png "1,3-Benzenediol, 4-[(3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-")
- InChI
- InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3
- InChI Key
- LBQIJVLKGVZRIW-UHFFFAOYSA-N
- Formula
- C20H20O4
- SMILES
-
CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O
)cc2O)C3)O1 - Molecular Weight1
- 324.37
- CAS
- 59870-68-7
- Other Names
-
- Glabridin
- 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 | 0.8324 | Relay (... Calculated Property | |
| ΔfG° | -46.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.44 | kJ/mol | Relay (... Calculated Property |
| IE | 7.29 | eV | Relay (... Calculated Property |
| log10WS | -4.62 | Relay (... Calculated Property | |
| logPoct/wat | 4.001 | Crippen Calculated Property | |
| McVol | 242.600 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | [3127.50; 3127.50] |
|
|
| Inp | 3127.50 | NIST | |
| Inp | 3127.50 | NIST | |
| Tboil | 696.56 | K | Relay (... Calculated Property |
| Tc | 1034.16 | K | Relay (... Calculated Property |
| Tfus | 433.00 | K | Relay (... Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.92; 980.93] | J/mol×K | [961.86; 1233.73] |
|
| Cp,gas | 808.92 | J/mol×K | 961.86 | Joback Calculated Property |
| Cp,gas | 831.61 | J/mol×K | 1007.17 | Joback Calculated Property |
| Cp,gas | 856.03 | J/mol×K | 1052.48 | Joback Calculated Property |
| Cp,gas | 882.68 | J/mol×K | 1097.80 | Joback Calculated Property |
| Cp,gas | 912.04 | J/mol×K | 1143.11 | Joback Calculated Property |
| Cp,gas | 944.63 | J/mol×K | 1188.42 | Joback Calculated Property |
| Cp,gas | 980.93 | J/mol×K | 1233.73 | Joback Calculated Property |
Similar Compounds
Sources
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