- InChI
- InChI=1S/C15H24O/c1-10(2)14(16)13-9-8-12-7-5-6-11(3)15(12,13)4/h7,10-11,13H,5-6,8-9H2,1-4H3/t11-,13+,15+/m0/s1
- InChI Key
- DVAATBRDCVSPRO-NJZAAPMLSA-N
- Formula
- C15H24O
- SMILES
- CC(C)C(=O)C1CCC2=CCCC(C)C21C
- Molecular Weight1
- 220.35
- 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 | 0.3828 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.984 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | [1561.00; 1561.00] |
|
|
| Inp | 1561.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Tboil | 539.02 | K | Relay (1.0) Calculated Property |
| Tc | 772.90 | K | Relay (1.0) Calculated Property |
| Tfus | 338.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.52; 659.96] | J/mol×K | [622.03; 842.78] |
|
| Cp,gas | 548.52 | J/mol×K | 622.03 | Joback Calculated Property |
| Cp,gas | 569.66 | J/mol×K | 658.82 | Joback Calculated Property |
| Cp,gas | 589.58 | J/mol×K | 695.61 | Joback Calculated Property |
| Cp,gas | 608.41 | J/mol×K | 732.40 | Joback Calculated Property |
| Cp,gas | 626.31 | J/mol×K | 769.20 | Joback Calculated Property |
| Cp,gas | 643.45 | J/mol×K | 805.99 | Joback Calculated Property |
| Cp,gas | 659.96 | J/mol×K | 842.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11,12-Dihydrochiloscyphone.
Sources
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