- InChI
- InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,7-9,11-12,15H,1,6,10H2,2-4H3/b11-7+,13-8+,14-9+
- InChI Key
- RXQNWMJVIQQHEU-XURCXITPSA-N
- Formula
- C15H22O
- SMILES
- C=CC(C)=CCC=C(C)CC=CC(C)C=O
- Molecular Weight1
- 218.33
- Other Names
-
- d-Sinensal
- 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.
- I : 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° | 284.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.236 | Crippen Calculated Property | |
| McVol | 206.580 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [1696.00; 1696.00] |
|
|
| Inp | 1696.00 | NIST | |
| Inp | 1696.00 | NIST | |
| I | [2262.00; 2262.00] |
|
|
| I | 2262.00 | NIST | |
| I | 2262.00 | NIST | |
| Tboil | 599.74 | K | Joback Calculated Property |
| Tc | 794.51 | K | Joback Calculated Property |
| Tfus | 240.89 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.95; 596.07] | J/mol×K | [599.74; 794.51] |
|
| Cp,gas | 509.95 | J/mol×K | 599.74 | Joback Calculated Property |
| Cp,gas | 526.43 | J/mol×K | 632.20 | Joback Calculated Property |
| Cp,gas | 541.96 | J/mol×K | 664.66 | Joback Calculated Property |
| Cp,gas | 556.63 | J/mol×K | 697.13 | Joback Calculated Property |
| Cp,gas | 570.49 | J/mol×K | 729.59 | Joback Calculated Property |
| Cp,gas | 583.61 | J/mol×K | 762.05 | Joback Calculated Property |
| Cp,gas | 596.07 | J/mol×K | 794.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to sinensal.
Sources
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