- InChI
- InChI=1S/C29H48O2/c1-19(2)7-8-20(3)24-12-13-27(6)25-10-9-22-17-23(31-21(4)30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19-20,22-25H,7-18H2,1-6H3/t20-,22-,23+,24-,25+,26-,27+,28-,29+/m0/s1
- InChI Key
- XWQUCCSOTWFBSU-LEQFWYBKSA-N
- Formula
- C29H48O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CCC(C)C)CCC2(C)C4CCC3C1 - Molecular Weight1
- 428.69
- 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° | 176.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.08 | kJ/mol | Joback Calculated Property |
| log10WS | -8.23 | Crippen Calculated Property | |
| logPoct/wat | 7.793 | Crippen Calculated Property | |
| McVol | 372.610 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Inp | 3240.00 | NIST | |
| Tboil | 971.79 | K | Joback Calculated Property |
| Tc | 1206.62 | K | Joback Calculated Property |
| Tfus | 620.77 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1446.25; 1769.03] | J/mol×K | [971.79; 1206.62] | 
|
| Cp,gas | 1446.25 | J/mol×K | 971.79 | Joback Calculated Property |
| Cp,gas | 1489.85 | J/mol×K | 1010.93 | Joback Calculated Property |
| Cp,gas | 1536.68 | J/mol×K | 1050.07 | Joback Calculated Property |
| Cp,gas | 1587.37 | J/mol×K | 1089.21 | Joback Calculated Property |
| Cp,gas | 1642.56 | J/mol×K | 1128.35 | Joback Calculated Property |
| Cp,gas | 1702.90 | J/mol×K | 1167.49 | Joback Calculated Property |
| Cp,gas | 1769.03 | J/mol×K | 1206.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pollinastanol acetate.
Sources
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