- InChI
- InChI=1S/C22H30O3/c1-15(2)22(24)13-12-21(4)11-10-16(3)14-18(19(21)22)25-20(23)17-8-6-5-7-9-17/h5-10,15,18-19,24H,11-14H2,1-4H3/t18-,19+,21+,22+/m0/s1
- InChI Key
- YOLDXKHOBUWSGX-YVNJGZBMSA-N
- Formula
- C22H30O3
- SMILES
-
CC1=CCC2(C)CCC(O)(C(C)C)C2C(OC
(=O)c2ccccc2)C1 - Molecular Weight1
- 342.47
- 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).
- 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° | -59.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 4.756 | Crippen Calculated Property | |
| McVol | 284.370 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 923.31 | K | Joback Calculated Property |
| Tc | 1154.35 | K | Joback Calculated Property |
| Tfus | 556.50 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.71; 1127.61] | J/mol×K | [923.31; 1154.35] |
|
| Cp,gas | 975.71 | J/mol×K | 923.31 | Joback Calculated Property |
| Cp,gas | 999.15 | J/mol×K | 961.82 | Joback Calculated Property |
| Cp,gas | 1022.96 | J/mol×K | 1000.32 | Joback Calculated Property |
| Cp,gas | 1047.44 | J/mol×K | 1038.83 | Joback Calculated Property |
| Cp,gas | 1072.85 | J/mol×K | 1077.34 | Joback Calculated Property |
| Cp,gas | 1099.48 | J/mol×K | 1115.84 | Joback Calculated Property |
| Cp,gas | 1127.61 | J/mol×K | 1154.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Teferidine.
Sources
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