- InChI
- InChI=1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6+
- InChI Key
- IXRPKRWXUJOOBZ-IZZDOVSWSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OCC(C)=CCCC1(C)C2CC3C(C2
)C31C - Molecular Weight1
- 262.39
- CAS
- 41414-75-9
- 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 | 0.5203 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.958 | Crippen Calculated Property | |
| McVol | 220.950 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1788.00] |
|
|
| Inp | 1788.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Tboil | 559.51 | K | Relay (1.0) Calculated Property |
| Tc | 828.86 | K | Relay (1.0) Calculated Property |
| Tfus | 379.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.79; 765.44] | J/mol×K | [671.51; 876.44] |
|
| Cp,gas | 658.79 | J/mol×K | 671.51 | Joback Calculated Property |
| Cp,gas | 677.42 | J/mol×K | 705.66 | Joback Calculated Property |
| Cp,gas | 695.36 | J/mol×K | 739.82 | Joback Calculated Property |
| Cp,gas | 712.87 | J/mol×K | 773.97 | Joback Calculated Property |
| Cp,gas | 730.22 | J/mol×K | 808.13 | Joback Calculated Property |
| Cp,gas | 747.66 | J/mol×K | 842.28 | Joback Calculated Property |
| Cp,gas | 765.44 | J/mol×K | 876.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«alpha»-Santalyl acetate.
Sources
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