- InChI
- InChI=1S/C32H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32(34)30-31(2)33/h3-30H2,1-2H3
- InChI Key
- SXKODSLROOSVOX-UHFFFAOYSA-N
- Formula
- C32H62O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(
=O)CC(C)=O - Molecular Weight1
- 478.83
- 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 | 1.3576 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 151.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.087 | Crippen Calculated Property | |
| McVol | 464.880 | ml/mol | McGowan Calculated Property |
| Pc | 576.74 | kPa | Joback Calculated Property |
| Inp | [3539.80; 3539.80] |
|
|
| Inp | 3539.80 | NIST | |
| Inp | 3539.80 | NIST | |
| Tboil | 679.45 | K | Relay (1.0) Calculated Property |
| Tc | 881.24 | K | Relay (1.0) Calculated Property |
| Tfus | 362.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.797 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.17; 1648.28] | 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 | -1.14820e+01 | |||
| Coefficient B | 2.98784e+00 | |||
| Coefficient C | -1.67960e-03 | |||
| Coefficient D | 3.51520e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 686.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 850.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 998.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1130.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1247.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1350.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1441.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1520.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1588.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1648.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004074; 0.0000255] | Pa×s | [550.26; 916.39] |
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 | -1.47406e+01 | |||
| Coefficient B | 3.81594e+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. | 550.26 | |||
| Temperature range, max. | 916.39 | |||
| η | 0.0004074 | Pa×s | 550.26 | Calculated Property |
| η | 0.0002527 | Pa×s | 590.94 | Calculated Property |
| η | 0.0001667 | Pa×s | 631.62 | Calculated Property |
| η | 0.0001157 | Pa×s | 672.30 | Calculated Property |
| η | 0.0000837 | Pa×s | 712.99 | Calculated Property |
| η | 0.0000627 | Pa×s | 753.67 | Calculated Property |
| η | 0.0000484 | Pa×s | 794.35 | Calculated Property |
| η | 0.0000383 | Pa×s | 835.03 | Calculated Property |
| η | 0.0000310 | Pa×s | 875.71 | Calculated Property |
| η | 0.0000255 | Pa×s | 916.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Dotriacontan-2,4-dione.
Sources
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