- InChI
- InChI=1S/C38H72O/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/h17-18,24-25H,3-16,19-23,26-37H2,1-2H3/b18-17+,25-24+
- InChI Key
- LSJKYNABDLNZPV-YRVRKSHPSA-N
- Formula
- C38H72O
- SMILES
-
CCCCCCCCCCCCCCC=CCCCCCC=CCCCCC
CCCCCCCC(=O)CC - Molecular Weight1
- 544.98
- Other Names
-
- Octatriaconta-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 | 1.3843 | Relay (1.0) Calculated Property | |
| ΔfG° | 300.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 96.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 177.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.801 | Crippen Calculated Property | |
| McVol | 539.250 | ml/mol | McGowan Calculated Property |
| Pc | 452.89 | kPa | Joback Calculated Property |
| Inp | [3986.00; 3986.00] |
|
|
| Inp | 3986.00 | NIST | |
| Inp | 3986.00 | NIST | |
| Tboil | 712.66 | K | Relay (1.0) Calculated Property |
| Tc | 900.45 | K | Relay (1.0) Calculated Property |
| Tfus | 343.48 | K | Relay (1.0) Calculated Property |
| Vc | 2.027 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2005.96; 2215.00] | J/mol×K | [1131.03; 1472.93] |
|
| Cp,gas | 2005.96 | J/mol×K | 1131.03 | Joback Calculated Property |
| Cp,gas | 2043.96 | J/mol×K | 1188.01 | Joback Calculated Property |
| Cp,gas | 2079.92 | J/mol×K | 1245.00 | Joback Calculated Property |
| Cp,gas | 2114.42 | J/mol×K | 1301.98 | Joback Calculated Property |
| Cp,gas | 2148.04 | J/mol×K | 1358.96 | Joback Calculated Property |
| Cp,gas | 2181.37 | J/mol×K | 1415.95 | Joback Calculated Property |
| Cp,gas | 2215.00 | J/mol×K | 1472.93 | Joback Calculated Property |
| η | [0.0000050; 0.0002037] | Pa×s | [557.79; 1131.03] |
|
| η | 0.0002037 | Pa×s | 557.79 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 653.33 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 748.87 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 844.41 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 939.95 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 1035.49 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1131.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16E,23E-octatriaconta-dien-3-one.
Sources
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