- InChI
- InChI=1S/C15H24O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3
- InChI Key
- DPDBSHAVHRQWMU-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=C(C)C1CC(O)C2=CCCC(C)C2(C)C1
- Molecular Weight1
- 220.35
- CAS
- 61847-19-6
- 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 | 0.4523 | Relay (... Calculated Property | |
| ΔfG° | 90.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.40 | kJ/mol | Relay (... Calculated Property |
| IE | 8.31 | eV | Relay (... Calculated Property |
| log10WS | -3.73 | Relay (... Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | 1552.50 | NIST | |
| Tboil | 574.83 | K | Relay (... Calculated Property |
| Tc | 789.91 | K | Relay (... Calculated Property |
| Tfus | 378.52 | K | Relay (... Calculated Property |
| Vc | 0.668 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.99; 677.75] | J/mol×K | [656.94; 865.19] | 
|
| Cp,gas | 573.99 | J/mol×K | 656.94 | Joback Calculated Property |
| Cp,gas | 593.37 | J/mol×K | 691.65 | Joback Calculated Property |
| Cp,gas | 611.74 | J/mol×K | 726.36 | Joback Calculated Property |
| Cp,gas | 629.25 | J/mol×K | 761.06 | Joback Calculated Property |
| Cp,gas | 646.00 | J/mol×K | 795.77 | Joback Calculated Property |
| Cp,gas | 662.12 | J/mol×K | 830.48 | Joback Calculated Property |
| Cp,gas | 677.75 | J/mol×K | 865.19 | Joback Calculated Property |
Similar Compounds
Sources
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