- InChI
- InChI=1S/C29H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)27-28(2)30/h3-27H2,1-2H3
- InChI Key
- MEQWKVIDALQQBU-UHFFFAOYSA-N
- Formula
- C29H56O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)
CC(C)=O - Molecular Weight1
- 436.76
- 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 | 1.2526 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.917 | Crippen Calculated Property | |
| McVol | 422.610 | ml/mol | McGowan Calculated Property |
| Pc | 665.63 | kPa | Joback Calculated Property |
| Inp | [3242.10; 3242.10] |
|
|
| Inp | 3242.10 | NIST | |
| Inp | 3242.10 | NIST | |
| Tboil | 660.87 | K | Relay (1.0) Calculated Property |
| Tc | 863.79 | K | Relay (1.0) Calculated Property |
| Tfus | 357.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.633 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.53; 1493.50] | 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 | -8.75500e+00 | |||
| Coefficient B | 2.70284e+00 | |||
| Coefficient C | -1.51640e-03 | |||
| Coefficient D | 3.15820e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 622.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 771.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 905.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1024.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1130.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1223.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1305.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1377.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1439.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1493.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006151; 0.0000438] | Pa×s | [516.45; 841.16] |
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 | -1.42356e+01 | |||
| Coefficient B | 3.53346e+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. | 516.45 | |||
| Temperature range, max. | 841.16 | |||
| η | 0.0006151 | Pa×s | 516.45 | Calculated Property |
| η | 0.0003935 | Pa×s | 552.53 | Calculated Property |
| η | 0.0002659 | Pa×s | 588.61 | Calculated Property |
| η | 0.0001880 | Pa×s | 624.69 | Calculated Property |
| η | 0.0001380 | Pa×s | 660.77 | Calculated Property |
| η | 0.0001046 | Pa×s | 696.85 | Calculated Property |
| η | 0.0000815 | Pa×s | 732.92 | Calculated Property |
| η | 0.0000650 | Pa×s | 769.00 | Calculated Property |
| η | 0.0000529 | Pa×s | 805.08 | Calculated Property |
| η | 0.0000438 | Pa×s | 841.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonacosane-2,4-dione.
Sources
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