- InChI
- InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,10,13-14H,5-6,8H2,1-4H3/t10-,13-,14+/m0/s1
- InChI Key
- WCBCKXJLRYPWHZ-LEWSCRJBSA-N
- Formula
- C15H22O
- SMILES
- CC1=CC2C(=C(C)C)CCC(C)C2CC1=O
- 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 | 0.3623 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 1991.21 | kPa | Joback Calculated Property |
| Inp | [1676.00; 1676.00] |
|
|
| Inp | 1676.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Tboil | 562.89 | K | Relay (1.0) Calculated Property |
| Tc | 787.84 | K | Relay (1.0) Calculated Property |
| Tfus | 345.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.31; 655.99] | J/mol×K | [646.97; 877.91] |
|
| Cp,gas | 544.31 | J/mol×K | 646.97 | Joback Calculated Property |
| Cp,gas | 566.22 | J/mol×K | 685.46 | Joback Calculated Property |
| Cp,gas | 586.78 | J/mol×K | 723.95 | Joback Calculated Property |
| Cp,gas | 606.00 | J/mol×K | 762.44 | Joback Calculated Property |
| Cp,gas | 623.93 | J/mol×K | 800.93 | Joback Calculated Property |
| Cp,gas | 640.58 | J/mol×K | 839.42 | Joback Calculated Property |
| Cp,gas | 655.99 | J/mol×K | 877.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-(1R,6S,10S)-Amorpha-4,7(11)-dien-3-one.
Sources
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