- InChI
- InChI=1S/C37H76/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-35(4)29-24-31-37(6)33-25-32-36(5)30-23-28-34(3)26-8-2/h34-37H,7-33H2,1-6H3
- InChI Key
- WWPGDUNUVXPJNE-UHFFFAOYSA-N
- Formula
- C37H76
- SMILES
-
CCCCCCCCCCCCCCCCCC(C)CCCC(C)CC
CC(C)CCCC(C)CCC - Molecular Weight1
- 521.00
- 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 | 1.2859 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.103 | Crippen Calculated Property | |
| McVol | 532.190 | ml/mol | McGowan Calculated Property |
| Pc | 445.46 | kPa | Joback Calculated Property |
| Inp | [3448.00; 3448.00] |
|
|
| Inp | 3448.00 | NIST | |
| Inp | 3448.00 | NIST | |
| Inp | 3448.00 | NIST | |
| Tboil | 687.09 | K | Relay (1.0) Calculated Property |
| Tc | 859.38 | K | Relay (1.0) Calculated Property |
| Tfus | 259.32 | K | Relay (1.0) Calculated Property |
| Vc | 2.045 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.13; 1930.35] | 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 | -3.74730e+01 | |||
| Coefficient B | 3.54252e+00 | |||
| Coefficient C | -2.00180e-03 | |||
| Coefficient D | 4.27100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 789.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 984.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1158.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1314.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1453.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1575.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1683.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1777.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1859.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1930.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008645; 0.0000087] | Pa×s | [446.75; 931.17] |
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 | -1.58852e+01 | |||
| Coefficient B | 3.94564e+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. | 446.75 | |||
| Temperature range, max. | 931.17 | |||
| η | 0.0008645 | Pa×s | 446.75 | Calculated Property |
| η | 0.0003345 | Pa×s | 500.57 | Calculated Property |
| η | 0.0001556 | Pa×s | 554.40 | Calculated Property |
| η | 0.0000829 | Pa×s | 608.22 | Calculated Property |
| η | 0.0000489 | Pa×s | 662.05 | Calculated Property |
| η | 0.0000312 | Pa×s | 715.87 | Calculated Property |
| η | 0.0000213 | Pa×s | 769.69 | Calculated Property |
| η | 0.0000152 | Pa×s | 823.52 | Calculated Property |
| η | 0.0000113 | Pa×s | 877.34 | Calculated Property |
| η | 0.0000087 | Pa×s | 931.17 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,8,12,16-Tetramethyltritriacontane.
Sources
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