- InChI
- InChI=1S/C38H68O/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/h10-11,17-18,24-25,31-32H,3-9,12-16,19-23,26-30,33-37H2,1-2H3/b11-10+,18-17+,25-24+,32-31+
- InChI Key
- ZUOUHKCYMKZKKW-NWFVHWQVSA-N
- Formula
- C38H68O
- SMILES
-
CCCCCCCC=CCCCCCC=CCCCCCC=CCCCC
CC=CCCCCCC(=O)CC - Molecular Weight1
- 540.95
- Other Names
-
- Octatriaconta-9E,16E,23E,30E-tetraen-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 | 1.2415 | Relay (1.0) Calculated Property | |
| ΔfG° | 461.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -788.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 96.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 172.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.353 | Crippen Calculated Property | |
| McVol | 530.650 | ml/mol | McGowan Calculated Property |
| Pc | 473.62 | kPa | Joback Calculated Property |
| Inp | [3958.00; 3958.00] |
|
|
| Inp | 3958.00 | NIST | |
| Inp | 3958.00 | NIST | |
| Inp | 3958.00 | NIST | |
| Tboil | 721.55 | K | Relay (1.0) Calculated Property |
| Tc | 910.32 | K | Relay (1.0) Calculated Property |
| Tfus | 315.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.910 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.52; 1846.48] | 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 | -8.10230e+01 | |||
| Coefficient B | 3.66584e+00 | |||
| Coefficient C | -2.35990e-03 | |||
| Coefficient D | 6.21560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 756.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 948.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1117.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1266.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1397.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1511.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1612.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1699.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1777.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1846.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001788; 0.0000058] | Pa×s | [547.63; 1025.41] |
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 | -1.60057e+01 | |||
| Coefficient B | 4.03967e+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. | 547.63 | |||
| Temperature range, max. | 1025.41 | |||
| η | 0.0001788 | Pa×s | 547.63 | Calculated Property |
| η | 0.0000932 | Pa×s | 600.72 | Calculated Property |
| η | 0.0000540 | Pa×s | 653.80 | Calculated Property |
| η | 0.0000339 | Pa×s | 706.89 | Calculated Property |
| η | 0.0000228 | Pa×s | 759.98 | Calculated Property |
| η | 0.0000161 | Pa×s | 813.06 | Calculated Property |
| η | 0.0000119 | Pa×s | 866.15 | Calculated Property |
| η | 0.0000091 | Pa×s | 919.24 | Calculated Property |
| η | 0.0000071 | Pa×s | 972.32 | Calculated Property |
| η | 0.0000058 | Pa×s | 1025.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 9E,16E,23E,30E-octatriaconta-tetraen-3-one.
Sources
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