- InChI
- InChI=1S/C34H68O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36-2/h3-33H2,1-2H3
- InChI Key
- YQRKUEGITMAUCT-UHFFFAOYSA-N
- Formula
- C34H68O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCC(=O)OC - Molecular Weight1
- 508.92
- 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 | 1.4540 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1057.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 88.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 175.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.272 | Crippen Calculated Property | |
| McVol | 497.360 | ml/mol | McGowan Calculated Property |
| Pc | 498.91 | kPa | Joback Calculated Property |
| Inp | [3619.24; 3619.24] |
|
|
| Inp | 3619.24 | NIST | |
| Inp | 3619.24 | NIST | |
| Tboil | 677.26 | K | Relay (1.0) Calculated Property |
| Tc | 867.92 | K | Relay (1.0) Calculated Property |
| Tfus | 341.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.958 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.09; 1781.53] | 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 | -2.60900e+00 | |||
| Coefficient B | 3.17904e+00 | |||
| Coefficient C | -1.73120e-03 | |||
| Coefficient D | 3.36300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 743.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 920.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1079.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1221.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1348.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1460.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1558.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1644.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1718.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1781.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003454; 0.0000121] | Pa×s | [515.27; 924.16] |
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 | -1.55427e+01 | |||
| Coefficient B | 3.90160e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 515.27 | |||
| Temperature range, max. | 924.16 | |||
| η | 0.0003454 | Pa×s | 515.27 | Calculated Property |
| η | 0.0001870 | Pa×s | 560.70 | Calculated Property |
| η | 0.0001110 | Pa×s | 606.13 | Calculated Property |
| η | 0.0000709 | Pa×s | 651.57 | Calculated Property |
| η | 0.0000480 | Pa×s | 697.00 | Calculated Property |
| η | 0.0000341 | Pa×s | 742.43 | Calculated Property |
| η | 0.0000252 | Pa×s | 787.86 | Calculated Property |
| η | 0.0000192 | Pa×s | 833.30 | Calculated Property |
| η | 0.0000151 | Pa×s | 878.73 | Calculated Property |
| η | 0.0000121 | Pa×s | 924.16 | Calculated Property |
Similar Compounds
Find more compounds similar to methyl tritriacontanoate.
Sources
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