- InChI
- InChI=1S/C50H102/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3
- InChI Key
- DAQUEPISOMDKQG-UHFFFAOYSA-N
- Formula
- C50H102
- SMILES
-
CCCCCCCCCCCCCCCCCC(CCCCCCCCCCC
CCCCC)CCCCCCCCCCCCCCCC - Molecular Weight1
- 703.37
- Other Names
-
- 17-n-Hexadecyltetratriacontane
- 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).
- 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 | 1.8542 | Relay (1.0) Calculated Property | |
| ΔfG° | 367.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1072.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 121.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 235.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -16.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 19.607 | Crippen Calculated Property | |
| McVol | 715.360 | ml/mol | McGowan Calculated Property |
| Pc | 276.85 | kPa | Joback Calculated Property |
| Tboil | 766.08 | K | Relay (1.0) Calculated Property |
| Tc | 920.26 | K | Relay (1.0) Calculated Property |
| Tfus | 317.00 ± 2.00 | K | NIST |
| Vc | 2.774 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.85; 2599.42] | 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 | -4.42440e+01 | |||
| Coefficient B | 4.75976e+00 | |||
| Coefficient C | -2.69940e-03 | |||
| Coefficient D | 5.83300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1065.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1327.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1562.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1771.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1957.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2121.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2266.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2392.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2503.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2599.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1620621; 0.0000005] | Pa×s | [317.00; 1520.77] |
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 | -1.77701e+01 | |||
| Coefficient B | 5.05626e+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. | 317.00 | |||
| Temperature range, max. | 1520.77 | |||
| η | 0.1620621 | Pa×s | 317.00 | Calculated Property |
| η | 0.0014262 | Pa×s | 450.75 | Calculated Property |
| η | 0.0001095 | Pa×s | 584.50 | Calculated Property |
| η | 0.0000219 | Pa×s | 718.26 | Calculated Property |
| η | 0.0000072 | Pa×s | 852.01 | Calculated Property |
| η | 0.0000032 | Pa×s | 985.76 | Calculated Property |
| η | 0.0000018 | Pa×s | 1119.51 | Calculated Property |
| η | 0.0000011 | Pa×s | 1253.27 | Calculated Property |
| η | 0.0000007 | Pa×s | 1387.02 | Calculated Property |
| η | 0.0000005 | Pa×s | 1520.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetratriacontane, 17-hexadecyl-.
Sources
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