- InChI
- InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h5,9-10,13-14,16H,6-8H2,1-4H3/t13-,14+,15?/m0/s1
- InChI Key
- YNLHYEKVZRPZOZ-SNTRVMSOSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC2C(C(C)C)CC=C(C)C2(O)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° | 36.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | 1723.00 | NIST | |
| Tboil | 668.75 | K | Joback Calculated Property |
| Tc | 876.49 | K | Joback Calculated Property |
| Tfus | 372.65 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.81; 672.09] | J/mol×K | [668.75; 876.49] | 
|
| Cp,gas | 572.81 | J/mol×K | 668.75 | Joback Calculated Property |
| Cp,gas | 591.21 | J/mol×K | 703.37 | Joback Calculated Property |
| Cp,gas | 608.71 | J/mol×K | 738.00 | Joback Calculated Property |
| Cp,gas | 625.43 | J/mol×K | 772.62 | Joback Calculated Property |
| Cp,gas | 641.48 | J/mol×K | 807.25 | Joback Calculated Property |
| Cp,gas | 657.00 | J/mol×K | 841.87 | Joback Calculated Property |
| Cp,gas | 672.09 | J/mol×K | 876.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Atracylenolid.
Sources
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