- InChI
- InChI=1S/C40H74O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40(41)4-2/h19-20,26-27,33-34H,3-18,21-25,28-32,35-39H2,1-2H3/b20-19+,27-26+,34-33+
- InChI Key
- GJQPXCXKVSVWMJ-BMALKTGUSA-N
- Formula
- C40H74O
- SMILES
-
CCCCCCCCCCCCCCCCC=CCCCCCC=CCCC
CCC=CCCCCCC(=O)CC - Molecular Weight1
- 571.01
- Other Names
-
- Tetraconta-9E,16E,23E-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° | 397.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 101.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.25 | kJ/mol | Joback Calculated Property |
| log10WS | -15.41 | Crippen Calculated Property | |
| logPoct/wat | 14.357 | Crippen Calculated Property | |
| McVol | 563.130 | ml/mol | McGowan Calculated Property |
| Pc | 427.06 | kPa | Joback Calculated Property |
| Inp | [4165.00; 4165.00] |
|
|
| Inp | 4165.00 | NIST | |
| Inp | 4165.00 | NIST | |
| Inp | 4165.00 | NIST | |
| Tboil | 1180.95 | K | Joback Calculated Property |
| Tc | 1562.52 | K | Joback Calculated Property |
| Tfus | 575.25 | K | Joback Calculated Property |
| Vc | 2.221 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2120.03; 2383.38] | J/mol×K | [1180.95; 1562.52] |
|
| Cp,gas | 2120.03 | J/mol×K | 1180.95 | Joback Calculated Property |
| Cp,gas | 2163.93 | J/mol×K | 1244.55 | Joback Calculated Property |
| Cp,gas | 2206.59 | J/mol×K | 1308.14 | Joback Calculated Property |
| Cp,gas | 2248.95 | J/mol×K | 1371.74 | Joback Calculated Property |
| Cp,gas | 2291.92 | J/mol×K | 1435.33 | Joback Calculated Property |
| Cp,gas | 2336.42 | J/mol×K | 1498.93 | Joback Calculated Property |
| Cp,gas | 2383.38 | J/mol×K | 1562.52 | Joback Calculated Property |
| η | [0.0000032; 0.0001402] | Pa×s | [575.25; 1180.95] |
|
| η | 0.0001402 | Pa×s | 575.25 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 676.20 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 777.15 | Joback Calculated Property |
| η | 0.0000110 | Pa×s | 878.10 | Joback Calculated Property |
| η | 0.0000067 | Pa×s | 979.05 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 1080.00 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 1180.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9E,16E,23E-Tetraconta-trien-3-one.
Sources
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