- InChI
- InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-15-21(23)14-19(5)22(20)24/h8,10,12,14-15H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
- InChI Key
- WJKQTIOYPFPGQW-VZRGJMDUSA-N
- Formula
- C22H30O2
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCC1=CC(
=O)C=C(C)C1=O - Molecular Weight1
- 326.47
- CAS
- 142182-61-4
- 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° | 177.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 291.620 | ml/mol | McGowan Calculated Property |
| Pc | 1267.35 | kPa | Joback Calculated Property |
| Inp | [2536.80; 2536.80] |
|
|
| Inp | 2536.80 | NIST | |
| Inp | 2536.80 | NIST | |
| Tboil | 883.02 | K | Joback Calculated Property |
| Tc | 1108.39 | K | Joback Calculated Property |
| Tfus | 455.20 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [917.03; 1008.47] | J/mol×K | [883.02; 1108.39] |
|
| Cp,gas | 917.03 | J/mol×K | 883.02 | Joback Calculated Property |
| Cp,gas | 935.30 | J/mol×K | 920.58 | Joback Calculated Property |
| Cp,gas | 952.28 | J/mol×K | 958.14 | Joback Calculated Property |
| Cp,gas | 968.04 | J/mol×K | 995.70 | Joback Calculated Property |
| Cp,gas | 982.62 | J/mol×K | 1033.27 | Joback Calculated Property |
| Cp,gas | 996.08 | J/mol×K | 1070.83 | Joback Calculated Property |
| Cp,gas | 1008.47 | J/mol×K | 1108.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Senkyunone.
Sources
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