- InChI
- InChI=1S/C32H54O2/c1-21-23(34-22(2)33)10-11-24-29(21,6)13-12-25-30(24,7)17-19-32(9)26-20-27(3,4)14-15-28(26,5)16-18-31(25,32)8/h21,23-26H,10-20H2,1-9H3/t21-,23-,24?,25?,26+,28+,29+,30-,31+,32-/m1/s1
- InChI Key
- NXKDUDYUASKXAY-VKYTXUIISA-N
- Formula
- C32H54O2
- SMILES
-
CC(=O)OC1CCC2C(C)(CCC3C2(C)CCC
2(C)C4CC(C)(C)CCC4(C)CCC32C)C1 C - Molecular Weight1
- 470.77
- 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° | 124.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.99 | kJ/mol | Joback Calculated Property |
| log10WS | -9.25 | Crippen Calculated Property | |
| logPoct/wat | 8.820 | Crippen Calculated Property | |
| McVol | 414.880 | ml/mol | McGowan Calculated Property |
| Pc | 892.67 | kPa | Joback Calculated Property |
| Inp | 3457.00 | NIST | |
| Tboil | 1044.86 | K | Joback Calculated Property |
| Tc | 1296.57 | K | Joback Calculated Property |
| Tfus | 705.58 | K | Joback Calculated Property |
| Vc | 1.562 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1739.31; 2273.87] | J/mol×K | [1044.86; 1296.57] | 
|
| Cp,gas | 1739.31 | J/mol×K | 1044.86 | Joback Calculated Property |
| Cp,gas | 1807.68 | J/mol×K | 1086.81 | Joback Calculated Property |
| Cp,gas | 1883.02 | J/mol×K | 1128.76 | Joback Calculated Property |
| Cp,gas | 1966.34 | J/mol×K | 1170.71 | Joback Calculated Property |
| Cp,gas | 2058.60 | J/mol×K | 1212.67 | Joback Calculated Property |
| Cp,gas | 2160.78 | J/mol×K | 1254.62 | Joback Calculated Property |
| Cp,gas | 2273.87 | J/mol×K | 1296.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Epiflriedelinol (5B-methyl-friedelanol) acetate.
Sources
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