- InChI
- InChI=1S/C15H22O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,10,12H,4-5,7-9H2,1-3H3/b13-11+/t12-,15+/m1/s1
- InChI Key
- SVFQWLHYXVFRHQ-GDULLBNJSA-N
- Formula
- C15H22O
- SMILES
- CC(C=O)=C1CCC2=CCCC(C)C2(C)C1
- Molecular Weight1
- 218.33
- 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° | 100.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.048 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2216.62 | kPa | Joback Calculated Property |
| Inp | 1775.00 | NIST | |
| Tboil | 632.72 | K | Joback Calculated Property |
| Tc | 861.77 | K | Joback Calculated Property |
| Tfus | 356.19 | K | Joback Calculated Property |
| Vc | 0.743 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.12; 633.20] | J/mol×K | [632.72; 861.77] | 
|
| Cp,gas | 527.12 | J/mol×K | 632.72 | Joback Calculated Property |
| Cp,gas | 547.19 | J/mol×K | 670.90 | Joback Calculated Property |
| Cp,gas | 566.08 | J/mol×K | 709.07 | Joback Calculated Property |
| Cp,gas | 583.95 | J/mol×K | 747.25 | Joback Calculated Property |
| Cp,gas | 600.97 | J/mol×K | 785.42 | Joback Calculated Property |
| Cp,gas | 617.33 | J/mol×K | 823.60 | Joback Calculated Property |
| Cp,gas | 633.20 | J/mol×K | 861.77 | Joback Calculated Property |
Similar Compounds
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Sources
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