- InChI
- InChI=1S/C38H70O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)4-2/h17-18,24-25,31-32H,3-16,19-23,26-30,33-37H2,1-2H3/b18-17+,25-24+,32-31+
- InChI Key
- ZCSIKXHAMSQWSS-FMFOQKLUSA-N
- Formula
- C38H70O
- SMILES
-
CCCCCCCCCCCCCCC=CCCCCCC=CCCCCC
C=CCCCCCC(=O)CC - Molecular Weight1
- 542.96
- Other Names
-
- 9E,16E,23E-octatriaconta-trien-3-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° | 380.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 96.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.80 | kJ/mol | Joback Calculated Property |
| log10WS | -14.57 | Crippen Calculated Property | |
| logPoct/wat | 13.577 | Crippen Calculated Property | |
| McVol | 534.950 | ml/mol | McGowan Calculated Property |
| Pc | 463.08 | kPa | Joback Calculated Property |
| Inp | [3973.00; 3973.00] |
|
|
| Inp | 3973.00 | NIST | |
| Inp | 3973.00 | NIST | |
| Tboil | 1135.19 | K | Joback Calculated Property |
| Tc | 1468.47 | K | Joback Calculated Property |
| Tfus | 552.71 | K | Joback Calculated Property |
| Vc | 2.110 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1978.69; 2196.92] | J/mol×K | [1135.19; 1468.47] |
|
| Cp,gas | 1978.69 | J/mol×K | 1135.19 | Joback Calculated Property |
| Cp,gas | 2016.57 | J/mol×K | 1190.74 | Joback Calculated Property |
| Cp,gas | 2053.05 | J/mol×K | 1246.28 | Joback Calculated Property |
| Cp,gas | 2088.74 | J/mol×K | 1301.83 | Joback Calculated Property |
| Cp,gas | 2124.22 | J/mol×K | 1357.38 | Joback Calculated Property |
| Cp,gas | 2160.08 | J/mol×K | 1412.93 | Joback Calculated Property |
| Cp,gas | 2196.92 | J/mol×K | 1468.47 | Joback Calculated Property |
| η | [0.0000044; 0.0001908] | Pa×s | [552.71; 1135.19] |
|
| η | 0.0001908 | Pa×s | 552.71 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 649.79 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 746.87 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 843.95 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 941.03 | Joback Calculated Property |
| η | 0.0000061 | Pa×s | 1038.11 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 1135.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octatriaconta-9E,16E,23E-trien-3-one.
Sources
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