- InChI
- InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1
- InChI Key
- AIONOLUJZLIMTK-CQSZACIVSA-N
- Formula
- C16H14O6
- SMILES
-
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3
O2)cc1O - Molecular Weight1
- 302.28
- CAS
- 520-33-2
- Other Names
-
- (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone
- 2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
- 2,3-Dihyro-5,7-dihyroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (hesperitin)
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
- Hesperitin
- Hesperitine
- NSC 57654
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -439.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Aq. Sol... | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 208.840 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Inp | [3014.60; 3014.60] |
|
|
| Inp | 3014.60 | NIST | |
| Inp | 3014.60 | NIST | |
| Tboil | 998.86 | K | Joback Calculated Property |
| Tc | 1272.29 | K | Joback Calculated Property |
| Tfus | 501.48 | K | Aq. Sol... |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.20; 794.16] | J/mol×K | [998.86; 1272.29] |
|
| Cp,gas | 687.20 | J/mol×K | 998.86 | Joback Calculated Property |
| Cp,gas | 702.76 | J/mol×K | 1044.43 | Joback Calculated Property |
| Cp,gas | 718.87 | J/mol×K | 1090.00 | Joback Calculated Property |
| Cp,gas | 735.80 | J/mol×K | 1135.58 | Joback Calculated Property |
| Cp,gas | 753.81 | J/mol×K | 1181.15 | Joback Calculated Property |
| Cp,gas | 773.17 | J/mol×K | 1226.72 | Joback Calculated Property |
| Cp,gas | 794.16 | J/mol×K | 1272.29 | Joback Calculated Property |
| ΔfusH | 35.90 | kJ/mol | 499.20 | NIST |
Similar Compounds
Find more compounds similar to Hesperetin.
Mixtures
- Methyl Alcohol + Water + Hesperetin
- Ethanol + Water + Hesperetin
- Acetone + Water + Hesperetin
- Methyl Alcohol + Hesperetin
- Ethanol + Hesperetin
- 1-Butanol + Hesperetin
- Acetone + Hesperetin
- Water + Hesperetin
Sources
- Crippen Method
- Solubility of Hesperetin in Mixed Solvents
- Solubility of Hesperetin in Various Solvents from (288.2 to 323.2) K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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