- InChI
- InChI=1S/C46H94/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-34-37-40-43-46(4)44-41-38-35-32-29-30-33-36-39-42-45(2)3/h45-46H,5-44H2,1-4H3
- InChI Key
- ADXGDGQXEVPYRB-UHFFFAOYSA-N
- Formula
- C46H94
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C(C)CCCCCCCCCCCC(C)C - Molecular Weight1
- 647.24
- 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 | 1.6966 | Relay (1.0) Calculated Property | |
| ΔfG° | 331.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1027.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 107.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 218.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -15.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 17.902 | Crippen Calculated Property | |
| McVol | 659.000 | ml/mol | McGowan Calculated Property |
| Pc | 316.84 | kPa | Joback Calculated Property |
| Inp | [3494.00; 3494.00] |
|
|
| Inp | 3494.00 | NIST | |
| Inp | 3494.00 | NIST | |
| Tboil | 741.92 | K | Relay (1.0) Calculated Property |
| Tc | 902.24 | K | Relay (1.0) Calculated Property |
| Tfus | 323.42 | K | Relay (1.0) Calculated Property |
| Vc | 2.571 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.69; 2393.59] | 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 | -4.22900e+01 | |||
| Coefficient B | 4.38568e+00 | |||
| Coefficient C | -2.48500e-03 | |||
| Coefficient D | 5.35200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 980.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1221.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1438.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1631.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1802.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1953.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2086.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2203.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2305.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2393.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001195; 0.0000014] | Pa×s | [578.18; 1278.12] |
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 | -1.71913e+01 | |||
| Coefficient B | 4.71744e+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. | 578.18 | |||
| Temperature range, max. | 1278.12 | |||
| η | 0.0001195 | Pa×s | 578.18 | Calculated Property |
| η | 0.0000454 | Pa×s | 655.95 | Calculated Property |
| η | 0.0000212 | Pa×s | 733.72 | Calculated Property |
| η | 0.0000114 | Pa×s | 811.49 | Calculated Property |
| η | 0.0000069 | Pa×s | 889.27 | Calculated Property |
| η | 0.0000045 | Pa×s | 967.04 | Calculated Property |
| η | 0.0000031 | Pa×s | 1044.81 | Calculated Property |
| η | 0.0000023 | Pa×s | 1122.58 | Calculated Property |
| η | 0.0000017 | Pa×s | 1200.35 | Calculated Property |
| η | 0.0000014 | Pa×s | 1278.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetratriacontane, 2,14-dimethyl.
Sources
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