- InChI
- InChI=1S/C29H46O2/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/h7,20,22-25H,8-18H2,1-6H3/t20-,22-,23+,24-,25+,26-,27+,28-,29+/m0/s1
- InChI Key
- KCDCVYFVHAXYGG-LEQFWYBKSA-N
- Formula
- C29H46O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CC=C(C)C)CCC2(C)C4CCC3C1 - Molecular Weight1
- 426.67
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6065 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.713 | Crippen Calculated Property | |
| McVol | 368.310 | ml/mol | McGowan Calculated Property |
| Pc | 1050.73 | kPa | Joback Calculated Property |
| Inp | 3272.00 | NIST | |
| Tboil | 684.26 | K | Relay (1.0) Calculated Property |
| Tc | 989.45 | K | Relay (1.0) Calculated Property |
| Tfus | 426.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.326 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1419.81; 1757.07] | J/mol×K | [976.27; 1215.81] | 
|
| Cp,gas | 1419.81 | J/mol×K | 976.27 | Joback Calculated Property |
| Cp,gas | 1464.53 | J/mol×K | 1016.19 | Joback Calculated Property |
| Cp,gas | 1512.92 | J/mol×K | 1056.12 | Joback Calculated Property |
| Cp,gas | 1565.67 | J/mol×K | 1096.04 | Joback Calculated Property |
| Cp,gas | 1623.47 | J/mol×K | 1135.97 | Joback Calculated Property |
| Cp,gas | 1687.04 | J/mol×K | 1175.89 | Joback Calculated Property |
| Cp,gas | 1757.07 | J/mol×K | 1215.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Dehydropollinastanol acetate.
Sources
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