- InChI
- InChI=1S/C20H30O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
- InChI Key
- FENFKJSEQOAPKE-UHFFFAOYSA-N
- Formula
- C20H30O
- SMILES
-
CC(C)=CCCC1=CC=C(C=O)C(C)(CCC=
C(C)C)C1 - Molecular Weight1
- 286.45
- CAS
- 61447-89-0
- 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° | 220.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.10 | kJ/mol | Joback Calculated Property |
| log10WS | -6.54 | Crippen Calculated Property | |
| logPoct/wat | 5.941 | Crippen Calculated Property | |
| McVol | 266.170 | ml/mol | McGowan Calculated Property |
| Pc | 1415.44 | kPa | Joback Calculated Property |
| Inp | 2113.40 | NIST | |
| Tboil | 741.81 | K | Joback Calculated Property |
| Tc | 950.22 | K | Joback Calculated Property |
| Tfus | 376.92 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.78; 879.09] | J/mol×K | [741.81; 950.22] | 
|
| Cp,gas | 769.78 | J/mol×K | 741.81 | Joback Calculated Property |
| Cp,gas | 789.38 | J/mol×K | 776.55 | Joback Calculated Property |
| Cp,gas | 808.23 | J/mol×K | 811.28 | Joback Calculated Property |
| Cp,gas | 826.47 | J/mol×K | 846.02 | Joback Calculated Property |
| Cp,gas | 844.27 | J/mol×K | 880.75 | Joback Calculated Property |
| Cp,gas | 861.75 | J/mol×K | 915.49 | Joback Calculated Property |
| Cp,gas | 879.09 | J/mol×K | 950.22 | Joback Calculated Property |
Similar Compounds
Sources
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