- InChI
- InChI=1S/C37H68O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h16-17,23-24,30-31H,3-15,18-22,25-29,32-36H2,1-2H3/b17-16+,24-23+,31-30+
- InChI Key
- BVZVGJNVBQWQNU-OVNHWCOASA-N
- Formula
- C37H68O
- SMILES
-
CCCCCCCCCCCCCCC=CCCCCCC=CCCCCC
C=CCCCCCC(C)=O - Molecular Weight1
- 528.94
- Other Names
-
- Heptatriaconta-8E,15E,22E-trien-2-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° | 372.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 93.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.58 | kJ/mol | Joback Calculated Property |
| log10WS | -14.15 | Crippen Calculated Property | |
| logPoct/wat | 13.187 | Crippen Calculated Property | |
| McVol | 520.860 | ml/mol | McGowan Calculated Property |
| Pc | 482.82 | kPa | Joback Calculated Property |
| Inp | [3883.00; 3883.00] |
|
|
| Inp | 3883.00 | NIST | |
| Inp | 3883.00 | NIST | |
| Inp | 3883.00 | NIST | |
| Tboil | 1112.31 | K | Joback Calculated Property |
| Tc | 1424.96 | K | Joback Calculated Property |
| Tfus | 541.44 | K | Joback Calculated Property |
| Vc | 2.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1908.72; 2109.53] | J/mol×K | [1112.31; 1424.96] |
|
| Cp,gas | 1908.72 | J/mol×K | 1112.31 | Joback Calculated Property |
| Cp,gas | 1944.09 | J/mol×K | 1164.42 | Joback Calculated Property |
| Cp,gas | 1978.07 | J/mol×K | 1216.53 | Joback Calculated Property |
| Cp,gas | 2011.12 | J/mol×K | 1268.63 | Joback Calculated Property |
| Cp,gas | 2043.73 | J/mol×K | 1320.74 | Joback Calculated Property |
| Cp,gas | 2076.37 | J/mol×K | 1372.85 | Joback Calculated Property |
| Cp,gas | 2109.53 | J/mol×K | 1424.96 | Joback Calculated Property |
| η | [0.0000052; 0.0002222] | Pa×s | [541.44; 1112.31] |
|
| η | 0.0002222 | Pa×s | 541.44 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 636.59 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 731.73 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 826.88 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 922.02 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 1017.16 | Joback Calculated Property |
| η | 0.0000052 | Pa×s | 1112.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8E,15E,22E-heptatriaconta-trien-2-one.
Sources
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