- InChI
- InChI=1S/C33H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-33(35)31-32(34)29-27-6-4-2/h3-31H2,1-2H3
- InChI Key
- VOJQUEYIAVHRFR-UHFFFAOYSA-N
- Formula
- C33H64O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)
CC(=O)CCCCC - Molecular Weight1
- 492.86
- 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 | 1.3732 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -983.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 84.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 148.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.477 | Crippen Calculated Property | |
| McVol | 478.970 | ml/mol | McGowan Calculated Property |
| Pc | 551.04 | kPa | Joback Calculated Property |
| Inp | [3609.70; 3609.70] |
|
|
| Inp | 3609.70 | NIST | |
| Inp | 3609.70 | NIST | |
| Tboil | 679.34 | K | Relay (1.0) Calculated Property |
| Tc | 882.43 | K | Relay (1.0) Calculated Property |
| Tfus | 363.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.847 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.39; 1699.87] | 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 | -1.23910e+01 | |||
| Coefficient B | 3.08284e+00 | |||
| Coefficient C | -1.73400e-03 | |||
| Coefficient D | 3.63420e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 707.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 877.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1029.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1165.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1286.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1392.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1486.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1567.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1638.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1699.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003536; 0.0000211] | Pa×s | [561.53; 943.77] |
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 | -1.49107e+01 | |||
| Coefficient B | 3.91010e+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. | 561.53 | |||
| Temperature range, max. | 943.77 | |||
| η | 0.0003536 | Pa×s | 561.53 | Calculated Property |
| η | 0.0002167 | Pa×s | 604.00 | Calculated Property |
| η | 0.0001416 | Pa×s | 646.47 | Calculated Property |
| η | 0.0000975 | Pa×s | 688.94 | Calculated Property |
| η | 0.0000702 | Pa×s | 731.41 | Calculated Property |
| η | 0.0000523 | Pa×s | 773.89 | Calculated Property |
| η | 0.0000402 | Pa×s | 816.36 | Calculated Property |
| η | 0.0000317 | Pa×s | 858.83 | Calculated Property |
| η | 0.0000256 | Pa×s | 901.30 | Calculated Property |
| η | 0.0000211 | Pa×s | 943.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Tritriacontane-6.8-dione.
Sources
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