- InChI
- InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,22,24-25,27-28H,10,12,14-20H2,1-9H3/t22-,24+,25?,27+,28?,30?,31+,32-/m0/s1
- InChI Key
- LJPRHQWBGLMFJJ-JNYOTSAWSA-N
- Formula
- C32H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C
)CCC=C(C)C)CCC4(C)C3=CCC2C1(C) C - Molecular Weight1
- 468.75
- 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° | 203.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.26 | kJ/mol | Joback Calculated Property |
| log10WS | -9.54 | Crippen Calculated Property | |
| logPoct/wat | 8.906 | Crippen Calculated Property | |
| McVol | 417.140 | ml/mol | McGowan Calculated Property |
| Pc | 832.90 | kPa | Joback Calculated Property |
| Inp | [3393.00; 3393.00] |
|
|
| Inp | 3393.00 | NIST | |
| Inp | 3393.00 | NIST | |
| Tboil | 1046.18 | K | Joback Calculated Property |
| Tc | 1287.25 | K | Joback Calculated Property |
| Tfus | 634.60 | K | Joback Calculated Property |
| Vc | 1.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1652.09; 2035.86] | J/mol×K | [1046.18; 1287.25] |
|
| Cp,gas | 1652.09 | J/mol×K | 1046.18 | Joback Calculated Property |
| Cp,gas | 1703.75 | J/mol×K | 1086.36 | Joback Calculated Property |
| Cp,gas | 1759.46 | J/mol×K | 1126.54 | Joback Calculated Property |
| Cp,gas | 1819.89 | J/mol×K | 1166.72 | Joback Calculated Property |
| Cp,gas | 1885.66 | J/mol×K | 1206.90 | Joback Calculated Property |
| Cp,gas | 1957.44 | J/mol×K | 1247.07 | Joback Calculated Property |
| Cp,gas | 2035.86 | J/mol×K | 1287.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,24-Tirucalladienol acetate.
Sources
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