- InChI
- InChI=1S/C25H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h3-23H2,1-2H3
- InChI Key
- ZQDADPUQAZWEGX-UHFFFAOYSA-N
- Formula
- C25H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)CC(=O)CC
CCC - Molecular Weight1
- 380.65
- CAS
- 289681-95-4
- 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 | 1.0930 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.357 | Crippen Calculated Property | |
| McVol | 366.250 | ml/mol | McGowan Calculated Property |
| Pc | 820.07 | kPa | Joback Calculated Property |
| Inp | [2780.90; 2780.90] |
|
|
| Inp | 2780.90 | NIST | |
| Inp | 2780.90 | NIST | |
| Tboil | 629.39 | K | Relay (1.0) Calculated Property |
| Tc | 834.14 | K | Relay (1.0) Calculated Property |
| Tfus | 350.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.408 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.68; 1287.14] | 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 | -5.11900e+00 | |||
| Coefficient B | 2.32284e+00 | |||
| Coefficient C | -1.29880e-03 | |||
| Coefficient D | 2.68220e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 537.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 665.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 781.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 883.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 974.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1055.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1125.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1187.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1240.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1287.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010282; 0.0000836] | Pa×s | [471.37; 753.91] |
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 | -1.35771e+01 | |||
| Coefficient B | 3.15682e+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. | 471.37 | |||
| Temperature range, max. | 753.91 | |||
| η | 0.0010282 | Pa×s | 471.37 | Calculated Property |
| η | 0.0006768 | Pa×s | 502.76 | Calculated Property |
| η | 0.0004679 | Pa×s | 534.16 | Calculated Property |
| η | 0.0003371 | Pa×s | 565.55 | Calculated Property |
| η | 0.0002513 | Pa×s | 596.94 | Calculated Property |
| η | 0.0001930 | Pa×s | 628.34 | Calculated Property |
| η | 0.0001519 | Pa×s | 659.73 | Calculated Property |
| η | 0.0001223 | Pa×s | 691.12 | Calculated Property |
| η | 0.0001002 | Pa×s | 722.52 | Calculated Property |
| η | 0.0000836 | Pa×s | 753.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane-6,8-dione.
Sources
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