- InChI
- InChI=1S/C30H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-8-6-4-2/h3-28H2,1-2H3
- InChI Key
- KUWSHTWTAAEVLN-UHFFFAOYSA-N
- Formula
- C30H58O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=
O)CCCCCC - Molecular Weight1
- 450.78
- 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 | 1.2681 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.307 | Crippen Calculated Property | |
| McVol | 436.700 | ml/mol | McGowan Calculated Property |
| Pc | 633.84 | kPa | Joback Calculated Property |
| Inp | [3307.20; 3307.20] |
|
|
| Inp | 3307.20 | NIST | |
| Inp | 3307.20 | NIST | |
| Tboil | 660.88 | K | Relay (1.0) Calculated Property |
| Tc | 865.27 | K | Relay (1.0) Calculated Property |
| Tfus | 358.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.684 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.74; 1545.10] | 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 | -9.66400e+00 | |||
| Coefficient B | 2.79784e+00 | |||
| Coefficient C | -1.57080e-03 | |||
| Coefficient D | 3.27720e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 643.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 798.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 936.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1059.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1169.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1266.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1350.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1425.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1489.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1545.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005374; 0.0000368] | Pa×s | [527.72; 865.18] |
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 | -1.44030e+01 | |||
| Coefficient B | 3.62762e+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. | 527.72 | |||
| Temperature range, max. | 865.18 | |||
| η | 0.0005374 | Pa×s | 527.72 | Calculated Property |
| η | 0.0003406 | Pa×s | 565.22 | Calculated Property |
| η | 0.0002285 | Pa×s | 602.71 | Calculated Property |
| η | 0.0001606 | Pa×s | 640.21 | Calculated Property |
| η | 0.0001174 | Pa×s | 677.70 | Calculated Property |
| η | 0.0000887 | Pa×s | 715.20 | Calculated Property |
| η | 0.0000689 | Pa×s | 752.69 | Calculated Property |
| η | 0.0000548 | Pa×s | 790.19 | Calculated Property |
| η | 0.0000445 | Pa×s | 827.69 | Calculated Property |
| η | 0.0000368 | Pa×s | 865.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Triacontane-7,9-dione.
Sources
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