- InChI
- InChI=1S/C32H54O2/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/h21-22,24,27-28H,10-20H2,1-9H3/t22-,24+,27+,28-,30?,31+,32-/m0/s1
- InChI Key
- VARRUGKCHMYWET-YQCMNFGTSA-N
- Formula
- C32H54O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)
C)C1(C)CCC(C(C)CCCC(C)C)C1(C)C C3 - 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° | 127.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 | kJ/mol | Joback Calculated Property |
| log10WS | -9.69 | Crippen Calculated Property | |
| logPoct/wat | 9.130 | Crippen Calculated Property | |
| McVol | 421.440 | ml/mol | McGowan Calculated Property |
| Pc | 818.20 | kPa | Joback Calculated Property |
| Inp | 3224.00 | NIST | |
| Tboil | 1051.35 | K | Joback Calculated Property |
| Tc | 1290.99 | K | Joback Calculated Property |
| Tfus | 655.40 | K | Joback Calculated Property |
| Vc | 1.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1680.25; 2061.12] | J/mol×K | [1051.35; 1290.99] | 
|
| Cp,gas | 1680.25 | J/mol×K | 1051.35 | Joback Calculated Property |
| Cp,gas | 1731.90 | J/mol×K | 1091.29 | Joback Calculated Property |
| Cp,gas | 1787.46 | J/mol×K | 1131.23 | Joback Calculated Property |
| Cp,gas | 1847.54 | J/mol×K | 1171.17 | Joback Calculated Property |
| Cp,gas | 1912.77 | J/mol×K | 1211.11 | Joback Calculated Property |
| Cp,gas | 1983.75 | J/mol×K | 1251.05 | Joback Calculated Property |
| Cp,gas | 2061.12 | J/mol×K | 1290.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isotirucallenol acetate.
Sources
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