- InChI
- InChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3
- InChI Key
- FWCPQBUXTSVEIC-UHFFFAOYSA-N
- Formula
- C17H28O2
- SMILES
-
CC(=O)OCC1C2CCC3C2C(C)(C)CCCC1
3C - Molecular Weight1
- 264.40
- 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 | 0.4894 | Relay (... Calculated Property | |
| ΔfG° | -17.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -4.74 | Relay (... Calculated Property | |
| logPoct/wat | 4.038 | Crippen Calculated Property | |
| McVol | 225.250 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | [1850.30; 1850.30] |
|
|
| Inp | 1850.30 | NIST | |
| Inp | 1850.30 | NIST | |
| Tboil | 575.20 | K | Relay (... Calculated Property |
| Tc | 831.19 | K | Relay (... Calculated Property |
| Tfus | 342.31 | K | Relay (... Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [694.39; 821.54] | J/mol×K | [679.88; 898.50] |
|
| Cp,gas | 694.39 | J/mol×K | 679.88 | Joback Calculated Property |
| Cp,gas | 717.09 | J/mol×K | 716.32 | Joback Calculated Property |
| Cp,gas | 738.84 | J/mol×K | 752.75 | Joback Calculated Property |
| Cp,gas | 759.91 | J/mol×K | 789.19 | Joback Calculated Property |
| Cp,gas | 780.54 | J/mol×K | 825.63 | Joback Calculated Property |
| Cp,gas | 801.00 | J/mol×K | 862.06 | Joback Calculated Property |
| Cp,gas | 821.54 | J/mol×K | 898.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Isolongifolol, acetate.
Sources
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