- InChI
- InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3/t13?,15-/m0/s1
- InChI Key
- DVGWOFUZNUYQPS-WUJWULDRSA-N
- Formula
- C15H20O
- SMILES
-
CC1=CC=CC2(C)CC(=O)C(=C(C)C)CC
12 - Molecular Weight1
- 216.32
- CAS
- 179914-19-3
- 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 | 0.3457 | Relay (... Calculated Property | |
| ΔfG° | 107.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.41 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.06 | eV | Relay (... Calculated Property |
| log10WS | -3.50 | Relay (... Calculated Property | |
| logPoct/wat | 3.824 | Crippen Calculated Property | |
| McVol | 189.160 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | [1635.00; 1635.00] |
|
|
| Inp | 1635.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Tboil | 557.94 | K | Relay (... Calculated Property |
| Tc | 787.56 | K | Relay (... Calculated Property |
| Tfus | 329.16 | K | Relay (... Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.71; 624.44] | J/mol×K | [651.04; 893.12] |
|
| Cp,gas | 516.71 | J/mol×K | 651.04 | Joback Calculated Property |
| Cp,gas | 536.95 | J/mol×K | 691.39 | Joback Calculated Property |
| Cp,gas | 556.06 | J/mol×K | 731.73 | Joback Calculated Property |
| Cp,gas | 574.19 | J/mol×K | 772.08 | Joback Calculated Property |
| Cp,gas | 591.53 | J/mol×K | 812.42 | Joback Calculated Property |
| Cp,gas | 608.22 | J/mol×K | 852.77 | Joback Calculated Property |
| Cp,gas | 624.44 | J/mol×K | 893.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Selina-1,3,7(11)-trien-8-one.
Sources
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