- InChI
- InChI=1S/C23H28O3/c1-4-21(24)26-16-7-9-17-15(14-16)6-8-19-18(17)10-12-22(3)20(19)11-13-23(22,25)5-2/h2,7,9,14,18-20,25H,4,6,8,10-13H2,1,3H3
- InChI Key
- SWOKVUKTFUUZQW-UHFFFAOYSA-N
- Formula
- C23H28O3
- SMILES
-
C#CC1(O)CCC2C3CCc4cc(OC(=O)CC)
ccc4C3CCC21C - Molecular Weight1
- 352.47
- 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° | 219.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 4.222 | Crippen Calculated Property | |
| McVol | 283.300 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | 2468.00 | NIST | |
| Tboil | 940.77 | K | Joback Calculated Property |
| Tc | 1175.83 | K | Joback Calculated Property |
| Tfus | 666.48 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.78; 1153.92] | J/mol×K | [940.77; 1175.83] | 
|
| Cp,gas | 982.78 | J/mol×K | 940.77 | Joback Calculated Property |
| Cp,gas | 1007.52 | J/mol×K | 979.95 | Joback Calculated Property |
| Cp,gas | 1033.31 | J/mol×K | 1019.12 | Joback Calculated Property |
| Cp,gas | 1060.49 | J/mol×K | 1058.30 | Joback Calculated Property |
| Cp,gas | 1089.41 | J/mol×K | 1097.48 | Joback Calculated Property |
| Cp,gas | 1120.44 | J/mol×K | 1136.66 | Joback Calculated Property |
| Cp,gas | 1153.92 | J/mol×K | 1175.83 | Joback Calculated Property |
Similar Compounds
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Sources
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