- InChI
- InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h6H,1,5,7-11H2,2-4H3/b13-6-
- InChI Key
- ODYWEDCMANZQIY-MLPAPPSSSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC(=O)C(C)=CCCC(C)(C)CC1
- Molecular Weight1
- 220.35
- 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° | -15.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 4.438 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | 1581.00 | NIST | |
| Tboil | 654.86 | K | Joback Calculated Property |
| Tc | 900.64 | K | Joback Calculated Property |
| Tfus | 367.67 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.19; 688.17] | J/mol×K | [654.86; 900.64] | 
|
| Cp,gas | 562.19 | J/mol×K | 654.86 | Joback Calculated Property |
| Cp,gas | 586.47 | J/mol×K | 695.82 | Joback Calculated Property |
| Cp,gas | 609.35 | J/mol×K | 736.79 | Joback Calculated Property |
| Cp,gas | 630.89 | J/mol×K | 777.75 | Joback Calculated Property |
| Cp,gas | 651.17 | J/mol×K | 818.71 | Joback Calculated Property |
| Cp,gas | 670.24 | J/mol×K | 859.68 | Joback Calculated Property |
| Cp,gas | 688.17 | J/mol×K | 900.64 | Joback Calculated Property |
Similar Compounds
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)
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