- InChI
- InChI=1S/C15H22O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,10,12-14H,6-7H2,1-4H3/t10-,12+,13?,14+/m1/s1
- InChI Key
- PEDRFNLMEGPQLB-AHLYJBGZSA-N
- Formula
- C15H22O
- SMILES
- CC1=CCC2C(C3C1=COCC3C)C2(C)C
- Molecular Weight1
- 218.33
- 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 | 0.3428 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.775 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | 1627.00 | NIST | |
| Tboil | 547.11 | K | Relay (1.0) Calculated Property |
| Tc | 785.74 | K | Relay (1.0) Calculated Property |
| Tfus | 316.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.34; 635.16] | J/mol×K | [601.76; 826.79] | 
|
| Cp,gas | 522.34 | J/mol×K | 601.76 | Joback Calculated Property |
| Cp,gas | 543.89 | J/mol×K | 639.27 | Joback Calculated Property |
| Cp,gas | 564.09 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 583.14 | J/mol×K | 714.28 | Joback Calculated Property |
| Cp,gas | 601.22 | J/mol×K | 751.78 | Joback Calculated Property |
| Cp,gas | 618.50 | J/mol×K | 789.29 | Joback Calculated Property |
| Cp,gas | 635.16 | J/mol×K | 826.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-Plagiochiline W.
Sources
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