- InChI
- InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-
- InChI Key
- YLNMHCDVFVPONQ-QBFSEMIESA-N
- Formula
- C21H40O
- SMILES
- CCCCCC=CCCCC(=O)CCCCCCCCCC
- Molecular Weight1
- 308.54
- CAS
- 54844-65-4
- Other Names
-
- (Z)-6-Heneicosen-11-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 77.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.04 | kJ/mol | Joback Calculated Property |
| log10WS | -7.75 | Crippen Calculated Property | |
| logPoct/wat | 7.393 | Crippen Calculated Property | |
| McVol | 304.020 | ml/mol | McGowan Calculated Property |
| Pc | 1027.94 | kPa | Joback Calculated Property |
| Inp | 2258.00 | NIST | |
| Tboil | 737.91 | K | Joback Calculated Property |
| Tc | 912.08 | K | Joback Calculated Property |
| Tfus | 371.28 | K | Joback Calculated Property |
| Vc | 1.198 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [912.82; 1018.29] | J/mol×K | [737.91; 912.08] | 
|
| Cp,gas | 912.82 | J/mol×K | 737.91 | Joback Calculated Property |
| Cp,gas | 932.57 | J/mol×K | 766.94 | Joback Calculated Property |
| Cp,gas | 951.39 | J/mol×K | 795.97 | Joback Calculated Property |
| Cp,gas | 969.33 | J/mol×K | 824.99 | Joback Calculated Property |
| Cp,gas | 986.44 | J/mol×K | 854.02 | Joback Calculated Property |
| Cp,gas | 1002.74 | J/mol×K | 883.05 | Joback Calculated Property |
| Cp,gas | 1018.29 | J/mol×K | 912.08 | Joback Calculated Property |
| η | [0.0000731; 0.0021015] | Pa×s | [371.28; 737.91] |
|
| η | 0.0021015 | Pa×s | 371.28 | Joback Calculated Property |
| η | 0.0008083 | Pa×s | 432.38 | Joback Calculated Property |
| η | 0.0003939 | Pa×s | 493.49 | Joback Calculated Property |
| η | 0.0002249 | Pa×s | 554.60 | Joback Calculated Property |
| η | 0.0001435 | Pa×s | 615.70 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 676.80 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 737.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heneicosen-11-one, (Z)-.
Sources
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