- InChI
- InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-8,10,12H,9H2,1-4H3/t12-,15-/m0/s1
- InChI Key
- ZJWXBZANERDOCV-WFASDCNBSA-N
- Formula
- C15H20O
- SMILES
-
CC1=CC=CC2(C)CC(=O)C(C(C)C)C=C
12 - Molecular Weight1
- 216.32
- 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 | 0.3520 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.680 | Crippen Calculated Property | |
| McVol | 189.160 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | [1598.00; 1598.00] |
|
|
| Inp | 1598.00 | NIST | |
| Inp | 1598.00 | NIST | |
| Tboil | 524.60 | K | Relay (1.0) Calculated Property |
| Tc | 770.88 | K | Relay (1.0) Calculated Property |
| Tfus | 386.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.89; 623.26] | J/mol×K | [648.22; 887.17] |
|
| Cp,gas | 516.89 | J/mol×K | 648.22 | Joback Calculated Property |
| Cp,gas | 536.93 | J/mol×K | 688.04 | Joback Calculated Property |
| Cp,gas | 555.84 | J/mol×K | 727.87 | Joback Calculated Property |
| Cp,gas | 573.79 | J/mol×K | 767.69 | Joback Calculated Property |
| Cp,gas | 590.90 | J/mol×K | 807.52 | Joback Calculated Property |
| Cp,gas | 607.35 | J/mol×K | 847.34 | Joback Calculated Property |
| Cp,gas | 623.26 | J/mol×K | 887.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Selina-1,3,5(11)-trien-8-one.
Sources
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