- InChI
- InChI=1S/C15H28O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h11-14,16H,4-10H2,1-3H3/t12-,13?,14+,15-/m1/s1
- InChI Key
- WZSRLLWMYRQPRW-FSJTYKKLSA-N
- Formula
- C15H28O
- SMILES
- CC(C)C1CCC(C)C12CCC(CO)CC2
- Molecular Weight1
- 224.38
- 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.
- I : 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 | 0.5730 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.857 | Crippen Calculated Property | |
| McVol | 206.360 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | 1730.00 | NIST | |
| I | 2545.00 | NIST | |
| Tboil | 574.87 | K | Relay (1.0) Calculated Property |
| Tc | 803.93 | K | Relay (1.0) Calculated Property |
| Tfus | 347.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.49; 733.22] | J/mol×K | [655.80; 858.48] | 
|
| Cp,gas | 620.49 | J/mol×K | 655.80 | Joback Calculated Property |
| Cp,gas | 641.60 | J/mol×K | 689.58 | Joback Calculated Property |
| Cp,gas | 661.63 | J/mol×K | 723.36 | Joback Calculated Property |
| Cp,gas | 680.69 | J/mol×K | 757.14 | Joback Calculated Property |
| Cp,gas | 698.90 | J/mol×K | 790.92 | Joback Calculated Property |
| Cp,gas | 716.37 | J/mol×K | 824.70 | Joback Calculated Property |
| Cp,gas | 733.22 | J/mol×K | 858.48 | Joback Calculated Property |
Similar Compounds
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)
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