- InChI
- InChI=1S/C24H30O3/c1-4-6-22(25)27-17-8-10-18-16(15-17)7-9-20-19(18)11-13-23(3)21(20)12-14-24(23,26)5-2/h2,8,10,15,19-21,26H,4,6-7,9,11-14H2,1,3H3
- InChI Key
- FIPNBJWTSLURCK-UHFFFAOYSA-N
- Formula
- C24H30O3
- SMILES
-
C#CC1(O)CCC2C3CCc4cc(OC(=O)CCC
)ccc4C3CCC21C - Molecular Weight1
- 366.49
- 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° | 228.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.51 | Crippen Calculated Property | |
| logPoct/wat | 4.613 | Crippen Calculated Property | |
| McVol | 297.390 | ml/mol | McGowan Calculated Property |
| Pc | 1637.78 | kPa | Joback Calculated Property |
| Inp | 2522.00 | NIST | |
| Tboil | 963.65 | K | Joback Calculated Property |
| Tc | 1197.65 | K | Joback Calculated Property |
| Tfus | 677.75 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1047.89; 1229.04] | J/mol×K | [963.65; 1197.65] | 
|
| Cp,gas | 1047.89 | J/mol×K | 963.65 | Joback Calculated Property |
| Cp,gas | 1073.97 | J/mol×K | 1002.65 | Joback Calculated Property |
| Cp,gas | 1101.22 | J/mol×K | 1041.65 | Joback Calculated Property |
| Cp,gas | 1129.99 | J/mol×K | 1080.65 | Joback Calculated Property |
| Cp,gas | 1160.66 | J/mol×K | 1119.65 | Joback Calculated Property |
| Cp,gas | 1193.55 | J/mol×K | 1158.65 | Joback Calculated Property |
| Cp,gas | 1229.04 | J/mol×K | 1197.65 | Joback Calculated Property |
Similar Compounds
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Sources
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