- 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° | 178.77 | 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 | 903.17 | K | Relay (1.0) Calculated Property |
| Tfus | 339.26 | K | Relay (1.0) Calculated Property |
| Vc | 2.028 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.52; 1907.64] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.26590e+01 | |||
| Coefficient B | 3.62584e+00 | |||
| Coefficient C | -2.19230e-03 | |||
| Coefficient D | 5.26760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 784.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 979.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1152.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1305.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1441.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1560.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1665.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1756.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1837.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1907.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002037; 0.0000070] | Pa×s | [557.79; 1031.23] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.58262e+01 | |||
| Coefficient B | 4.08719e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 557.79 | |||
| Temperature range, max. | 1031.23 | |||
| η | 0.0002037 | Pa×s | 557.79 | Calculated Property |
| η | 0.0001083 | Pa×s | 610.39 | Calculated Property |
| η | 0.0000637 | Pa×s | 663.00 | Calculated Property |
| η | 0.0000405 | Pa×s | 715.60 | Calculated Property |
| η | 0.0000274 | Pa×s | 768.21 | Calculated Property |
| η | 0.0000195 | Pa×s | 820.81 | Calculated Property |
| η | 0.0000144 | Pa×s | 873.42 | Calculated Property |
| η | 0.0000111 | Pa×s | 926.02 | Calculated Property |
| η | 0.0000087 | Pa×s | 978.63 | Calculated Property |
| η | 0.0000070 | Pa×s | 1031.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 16E,23E-octatriaconta-dien-3-one.
Sources
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