- InChI
- InChI=1S/C15H26O2/c1-10-5-8-15(16)12(10)9-11-6-7-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3
- InChI Key
- OSXGCNJUBCSZET-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- CC1CCC2(O)C1CC1CCC2(C)OC1(C)C
- Molecular Weight1
- 238.37
- CAS
- 94388-63-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -41.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 201.370 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Inp | 1673.60 | NIST | |
| Tboil | 681.47 | K | Joback Calculated Property |
| Tc | 899.32 | K | Joback Calculated Property |
| Tfus | 448.44 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.75; 752.82] | J/mol×K | [681.47; 899.32] | 
|
| Cp,gas | 632.75 | J/mol×K | 681.47 | Joback Calculated Property |
| Cp,gas | 653.00 | J/mol×K | 717.78 | Joback Calculated Property |
| Cp,gas | 672.69 | J/mol×K | 754.09 | Joback Calculated Property |
| Cp,gas | 692.18 | J/mol×K | 790.40 | Joback Calculated Property |
| Cp,gas | 711.81 | J/mol×K | 826.71 | Joback Calculated Property |
| Cp,gas | 731.91 | J/mol×K | 863.02 | Joback Calculated Property |
| Cp,gas | 752.82 | J/mol×K | 899.32 | Joback Calculated Property |
Similar Compounds
Sources
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