- InChI
- InChI=1S/C45H92/c1-4-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-45(3)43-41-39-37-13-11-9-7-5-2/h45H,4-44H2,1-3H3
- InChI Key
- RGXJUWFUQGQLJC-UHFFFAOYSA-N
- Formula
- C45H92
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCC(C)CCCCCCCCCC - Molecular Weight1
- 633.21
- 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 | 1.6922 | Relay (1.0) Calculated Property | |
| ΔfG° | 325.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 108.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 219.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -15.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 17.656 | Crippen Calculated Property | |
| McVol | 644.910 | ml/mol | McGowan Calculated Property |
| Pc | 327.00 | kPa | Joback Calculated Property |
| Inp | 3431.00 | NIST | |
| Tboil | 731.81 | K | Relay (1.0) Calculated Property |
| Tc | 895.84 | K | Relay (1.0) Calculated Property |
| Tfus | 322.94 | K | Relay (1.0) Calculated Property |
| Vc | 2.526 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [959.79; 2341.46] | 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 | -3.96990e+01 | |||
| Coefficient B | 4.28476e+00 | |||
| Coefficient C | -2.42740e-03 | |||
| Coefficient D | 5.23800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 959.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1195.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1406.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1595.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1762.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1910.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2041.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2155.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2254.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2341.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001234; 0.0000019] | Pa×s | [581.91; 1240.21] |
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 | -1.68802e+01 | |||
| Coefficient B | 4.58546e+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. | 581.91 | |||
| Temperature range, max. | 1240.21 | |||
| η | 0.0001234 | Pa×s | 581.91 | Calculated Property |
| η | 0.0000512 | Pa×s | 655.05 | Calculated Property |
| η | 0.0000253 | Pa×s | 728.20 | Calculated Property |
| η | 0.0000143 | Pa×s | 801.34 | Calculated Property |
| η | 0.0000088 | Pa×s | 874.49 | Calculated Property |
| η | 0.0000059 | Pa×s | 947.63 | Calculated Property |
| η | 0.0000042 | Pa×s | 1020.78 | Calculated Property |
| η | 0.0000031 | Pa×s | 1093.92 | Calculated Property |
| η | 0.0000024 | Pa×s | 1167.07 | Calculated Property |
| η | 0.0000019 | Pa×s | 1240.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetratriacontane, 11-methyl.
Sources
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