- InChI
- InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
- InChI Key
- LBTVHXHERHESKG-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)
c(OC)c2)ccc1O - Molecular Weight1
- 372.41
- CAS
- 36062-04-1
- Other Names
-
- Tetrahydrodiferuloylmethane
- Tetrahydrocurcumin
- 1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-dione
- ω : Acentric Factor.
- 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).
- 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 | 1.1108 | Relay (... Calculated Property | |
| ΔfG° | -445.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.71 | kJ/mol | Relay (... Calculated Property |
| IE | 7.70 | eV | Relay (... Calculated Property |
| log10WS | -3.63 | Relay (... Calculated Property | |
| logPoct/wat | 3.209 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | [3187.60; 3187.60] |
|
|
| Inp | 3187.60 | NIST | |
| Inp | 3187.60 | NIST | |
| Tboil | 683.56 | K | Relay (... Calculated Property |
| Tc | 992.92 | K | Relay (... Calculated Property |
| Tfus | 417.33 | K | Relay (... Calculated Property |
| Vc | 0.997 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [940.89; 1030.44] | J/mol×K | [1057.02; 1301.28] |
|
| Cp,gas | 940.89 | J/mol×K | 1057.02 | Joback Calculated Property |
| Cp,gas | 955.75 | J/mol×K | 1097.73 | Joback Calculated Property |
| Cp,gas | 970.44 | J/mol×K | 1138.44 | Joback Calculated Property |
| Cp,gas | 985.09 | J/mol×K | 1179.15 | Joback Calculated Property |
| Cp,gas | 999.88 | J/mol×K | 1219.86 | Joback Calculated Property |
| Cp,gas | 1014.94 | J/mol×K | 1260.57 | Joback Calculated Property |
| Cp,gas | 1030.44 | J/mol×K | 1301.28 | Joback Calculated Property |
| η | [4.2529545e-08; 0.0000007] | Pa×s | [772.07; 1057.02] |
|
| η | 0.0000007 | Pa×s | 772.07 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 819.56 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 867.05 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 914.54 | Joback Calculated Property |
| η | 8.9906777e-08 | Pa×s | 962.04 | Joback Calculated Property |
| η | 6.0756764e-08 | Pa×s | 1009.53 | Joback Calculated Property |
| η | 4.2529545e-08 | Pa×s | 1057.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-.
Sources
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