- InChI
- InChI=1S/C37H76/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-26-31-36(4)33-28-23-19-24-29-34-37(5)32-27-22-18-20-25-30-35(2)3/h35-37H,6-34H2,1-5H3
- InChI Key
- CCAKKTHONRZHRP-UHFFFAOYSA-N
- Formula
- C37H76
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCCCCCC(C
)CCCCCCCC(C)C - 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 | 1.3381 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 170.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.247 | Crippen Calculated Property | |
| McVol | 532.190 | ml/mol | McGowan Calculated Property |
| Pc | 443.96 | kPa | Joback Calculated Property |
| Inp | [3524.00; 3524.00] |
|
|
| Inp | 3524.00 | NIST | |
| Inp | 3524.00 | NIST | |
| Tboil | 687.93 | K | Relay (1.0) Calculated Property |
| Tc | 856.93 | K | Relay (1.0) Calculated Property |
| Tfus | 295.39 | K | Relay (1.0) Calculated Property |
| Vc | 2.068 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.45; 1929.81] | 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 | -3.57910e+01 | |||
| Coefficient B | 3.53660e+00 | |||
| Coefficient C | -1.99860e-03 | |||
| Coefficient D | 4.27600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 789.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 984.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1158.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1314.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1452.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1574.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1682.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1776.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1858.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1929.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006836; 0.0000094] | Pa×s | [461.75; 934.72] |
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 | -1.57512e+01 | |||
| Coefficient B | 3.90782e+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. | 461.75 | |||
| Temperature range, max. | 934.72 | |||
| η | 0.0006836 | Pa×s | 461.75 | Calculated Property |
| η | 0.0002879 | Pa×s | 514.30 | Calculated Property |
| η | 0.0001423 | Pa×s | 566.85 | Calculated Property |
| η | 0.0000793 | Pa×s | 619.41 | Calculated Property |
| η | 0.0000484 | Pa×s | 671.96 | Calculated Property |
| η | 0.0000318 | Pa×s | 724.51 | Calculated Property |
| η | 0.0000220 | Pa×s | 777.06 | Calculated Property |
| η | 0.0000160 | Pa×s | 829.61 | Calculated Property |
| η | 0.0000121 | Pa×s | 882.16 | Calculated Property |
| η | 0.0000094 | Pa×s | 934.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,10,18-Trimethyltetratriacontane.
Sources
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