- InChI
- InChI=1S/C27H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h3-25H2,1-2H3
- InChI Key
- ZWDFZBUKKXMZLB-UHFFFAOYSA-N
- Formula
- C27H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)
CCCCC - Molecular Weight1
- 408.70
- 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 | 1.1630 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.137 | Crippen Calculated Property | |
| McVol | 394.430 | ml/mol | McGowan Calculated Property |
| Pc | 736.82 | kPa | Joback Calculated Property |
| Inp | [2988.40; 2988.40] |
|
|
| Inp | 2988.40 | NIST | |
| Inp | 2988.40 | NIST | |
| Tboil | 641.98 | K | Relay (1.0) Calculated Property |
| Tc | 847.01 | K | Relay (1.0) Calculated Property |
| Tfus | 353.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.519 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.10; 1390.32] | 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 | -6.93700e+00 | |||
| Coefficient B | 2.51284e+00 | |||
| Coefficient C | -1.40760e-03 | |||
| Coefficient D | 2.92020e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 580.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 718.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 843.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 954.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1052.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1139.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1215.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1282.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1340.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1390.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007997; 0.0000612] | Pa×s | [493.91; 795.91] |
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 | -1.39040e+01 | |||
| Coefficient B | 3.34514e+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. | 493.91 | |||
| Temperature range, max. | 795.91 | |||
| η | 0.0007997 | Pa×s | 493.91 | Calculated Property |
| η | 0.0005198 | Pa×s | 527.47 | Calculated Property |
| η | 0.0003557 | Pa×s | 561.02 | Calculated Property |
| η | 0.0002541 | Pa×s | 594.58 | Calculated Property |
| η | 0.0001881 | Pa×s | 628.13 | Calculated Property |
| η | 0.0001436 | Pa×s | 661.69 | Calculated Property |
| η | 0.0001125 | Pa×s | 695.24 | Calculated Property |
| η | 0.0000901 | Pa×s | 728.80 | Calculated Property |
| η | 0.0000737 | Pa×s | 762.35 | Calculated Property |
| η | 0.0000612 | Pa×s | 795.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane-6,8-dione.
Sources
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