- InChI
- InChI=1S/C37H70O/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(2)38/h16-17,23-24H,3-15,18-22,25-36H2,1-2H3/b17-16+,24-23+
- InChI Key
- GWIJSBMCDZFLTO-IFNFSJRCSA-N
- Formula
- C37H70O
- SMILES
-
CCCCCCCCCCCCCCC=CCCCCCC=CCCCCC
CCCCCCCC(C)=O - Molecular Weight1
- 530.95
- Other Names
-
- 15E,22E-heptatriaconta-dien-2-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 | 1.3672 | Relay (1.0) Calculated Property | |
| ΔfG° | 292.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 93.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 178.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.411 | Crippen Calculated Property | |
| McVol | 525.160 | ml/mol | McGowan Calculated Property |
| Pc | 471.97 | kPa | Joback Calculated Property |
| Inp | [3892.00; 3892.00] |
|
|
| Inp | 3892.00 | NIST | |
| Inp | 3892.00 | NIST | |
| Inp | 3892.00 | NIST | |
| Tboil | 712.03 | K | Relay (1.0) Calculated Property |
| Tc | 899.69 | K | Relay (1.0) Calculated Property |
| Tfus | 330.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.978 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.31; 1856.05] | 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 | -5.17500e+01 | |||
| Coefficient B | 3.53084e+00 | |||
| Coefficient C | -2.13790e-03 | |||
| Coefficient D | 5.14860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 763.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 952.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1121.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1270.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1402.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1518.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1620.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1709.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1787.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1856.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002371; 0.0000086] | Pa×s | [546.52; 999.95] |
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 | -1.56533e+01 | |||
| Coefficient B | 3.99303e+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. | 546.52 | |||
| Temperature range, max. | 999.95 | |||
| η | 0.0002371 | Pa×s | 546.52 | Calculated Property |
| η | 0.0001280 | Pa×s | 596.90 | Calculated Property |
| η | 0.0000760 | Pa×s | 647.28 | Calculated Property |
| η | 0.0000487 | Pa×s | 697.66 | Calculated Property |
| η | 0.0000331 | Pa×s | 748.05 | Calculated Property |
| η | 0.0000236 | Pa×s | 798.43 | Calculated Property |
| η | 0.0000176 | Pa×s | 848.81 | Calculated Property |
| η | 0.0000135 | Pa×s | 899.19 | Calculated Property |
| η | 0.0000107 | Pa×s | 949.57 | Calculated Property |
| η | 0.0000086 | Pa×s | 999.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptatriaconta-15E,22E-dien-2-one.
Sources
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