- InChI
- InChI=1S/C15H22O3/c1-10(2)7-15(17)8-11(3)6-13(15)14(16)12-4-5-18-9-12/h4-5,9-11,13,17H,6-8H2,1-3H3/t11-,13?,15-/m0/s1
- InChI Key
- UKXCRZBNQMXXFP-BJLZJLDMSA-N
- Formula
- C15H22O3
- SMILES
-
CC(C)CC1(O)CC(C)CC1C(=O)c1ccoc
1 - Molecular Weight1
- 250.33
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6590 | Relay (... Calculated Property | |
| ΔfG° | -185.53 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -507.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.30 | kJ/mol | Relay (... Calculated Property |
| IE | 8.92 | eV | Relay (... Calculated Property |
| log10WS | -3.25 | Relay (... Calculated Property | |
| logPoct/wat | 3.286 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 1888.04 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1803.00; 1803.00] |
|
|
| Inp | 1803.00 | NIST | |
| Inp | 1803.00 | NIST | |
| Tboil | 592.40 | K | Relay (... Calculated Property |
| Tc | 820.10 | K | Relay (... Calculated Property |
| Tfus | 343.40 | K | Relay (... Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Perillup ketol. TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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