- InChI
- InChI=1S/C39H72O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39(2)40/h18-19,25-26,32-33H,3-17,20-24,27-31,34-38H2,1-2H3/b19-18+,26-25+,33-32+
- InChI Key
- SLHWPHNHPLMDPP-VUGIOZIKSA-N
- Formula
- C39H72O
- SMILES
-
CCCCCCCCCCCCCCCCC=CCCCCCC=CCCC
CCC=CCCCCCC(C)=O - Molecular Weight1
- 556.99
- Other Names
-
- Nonatriaconta-8E,15E,22E-trien-2-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° | 389.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 98.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.03 | kJ/mol | Joback Calculated Property |
| log10WS | -14.99 | Crippen Calculated Property | |
| logPoct/wat | 13.967 | Crippen Calculated Property | |
| McVol | 549.040 | ml/mol | McGowan Calculated Property |
| Pc | 444.52 | kPa | Joback Calculated Property |
| Inp | [4073.00; 4073.00] |
|
|
| Inp | 4073.00 | NIST | |
| Inp | 4073.00 | NIST | |
| Tboil | 1158.07 | K | Joback Calculated Property |
| Tc | 1514.26 | K | Joback Calculated Property |
| Tfus | 563.98 | K | Joback Calculated Property |
| Vc | 2.166 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2049.13; 2287.96] | J/mol×K | [1158.07; 1514.26] |
|
| Cp,gas | 2049.13 | J/mol×K | 1158.07 | Joback Calculated Property |
| Cp,gas | 2089.83 | J/mol×K | 1217.43 | Joback Calculated Property |
| Cp,gas | 2129.19 | J/mol×K | 1276.80 | Joback Calculated Property |
| Cp,gas | 2167.95 | J/mol×K | 1336.16 | Joback Calculated Property |
| Cp,gas | 2206.84 | J/mol×K | 1395.53 | Joback Calculated Property |
| Cp,gas | 2246.60 | J/mol×K | 1454.89 | Joback Calculated Property |
| Cp,gas | 2287.96 | J/mol×K | 1514.26 | Joback Calculated Property |
| η | [0.0000037; 0.0001637] | Pa×s | [563.98; 1158.07] |
|
| η | 0.0001637 | Pa×s | 563.98 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 663.00 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 762.01 | Joback Calculated Property |
| η | 0.0000129 | Pa×s | 861.02 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 960.04 | Joback Calculated Property |
| η | 0.0000052 | Pa×s | 1059.05 | Joback Calculated Property |
| η | 0.0000037 | Pa×s | 1158.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8E,15E,22E-nonatriaconta-trien-2-one.
Sources
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