- InChI
- InChI=1S/C40H76O/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/h19-20,26-27H,3-18,21-25,28-39H2,1-2H3/b20-19+,27-26+
- InChI Key
- XMEBNQZQPQPETJ-BLKTUOACSA-N
- Formula
- C40H76O
- SMILES
-
CCCCCCCCCCCCCCCCC=CCCCCCC=CCCC
CCCCCCCCCC(=O)CC - Molecular Weight1
- 573.03
- Other Names
-
- Tetraconta-16E,23E-dien-3-one
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.4544 | Relay (1.0) Calculated Property | |
| ΔfG° | 317.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 101.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 186.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.581 | Crippen Calculated Property | |
| McVol | 567.430 | ml/mol | McGowan Calculated Property |
| Pc | 418.03 | kPa | Joback Calculated Property |
| Inp | [4179.00; 4179.00] |
|
|
| Inp | 4179.00 | NIST | |
| Inp | 4179.00 | NIST | |
| Tboil | 725.06 | K | Relay (1.0) Calculated Property |
| Tc | 911.18 | K | Relay (1.0) Calculated Property |
| Tfus | 346.58 | K | Relay (1.0) Calculated Property |
| Vc | 2.135 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2146.55; 2394.77] | J/mol×K | [1176.79; 1569.63] |
|
| Cp,gas | 2146.55 | J/mol×K | 1176.79 | Joback Calculated Property |
| Cp,gas | 2190.17 | J/mol×K | 1242.26 | Joback Calculated Property |
| Cp,gas | 2231.66 | J/mol×K | 1307.74 | Joback Calculated Property |
| Cp,gas | 2271.93 | J/mol×K | 1373.21 | Joback Calculated Property |
| Cp,gas | 2311.93 | J/mol×K | 1438.68 | Joback Calculated Property |
| Cp,gas | 2352.56 | J/mol×K | 1504.16 | Joback Calculated Property |
| Cp,gas | 2394.77 | J/mol×K | 1569.63 | Joback Calculated Property |
| η | [0.0000036; 0.0001497] | Pa×s | [580.33; 1176.79] |
|
| η | 0.0001497 | Pa×s | 580.33 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 679.74 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 779.15 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 878.56 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 977.97 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1077.38 | Joback Calculated Property |
| η | 0.0000036 | Pa×s | 1176.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16E,23E-Tetraconta-dien-3-one.
Sources
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