- InChI
- InChI=1S/C40H82/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-31-38(4)33-29-35-40(6)36-39(5)34-28-32-37(3)30-26-10-8-2/h37-40H,7-36H2,1-6H3
- InChI Key
- YHNFOHKDNXSTMM-UHFFFAOYSA-N
- Formula
- C40H82
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(C)CCCC(C
)CC(C)CCCC(C)CCCCC - Molecular Weight1
- 563.08
- 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 | 1.3955 | Relay (1.0) Calculated Property | |
| ΔfG° | 276.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 85.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 177.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.274 | Crippen Calculated Property | |
| McVol | 574.460 | ml/mol | McGowan Calculated Property |
| Pc | 395.87 | kPa | Joback Calculated Property |
| Inp | [3723.00; 3723.00] |
|
|
| Inp | 3723.00 | NIST | |
| Inp | 3723.00 | NIST | |
| Inp | 3723.00 | NIST | |
| Tboil | 705.12 | K | Relay (1.0) Calculated Property |
| Tc | 876.29 | K | Relay (1.0) Calculated Property |
| Tfus | 263.45 | K | Relay (1.0) Calculated Property |
| Vc | 2.202 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.77; 2085.12] | 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 | -4.02000e+01 | |||
| Coefficient B | 3.82752e+00 | |||
| Coefficient C | -2.16500e-03 | |||
| Coefficient D | 4.62800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 852.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1063.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1252.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1420.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1570.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1702.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1818.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1919.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2008.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2085.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004973; 0.0000047] | Pa×s | [480.56; 1022.85] |
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 | -1.64045e+01 | |||
| Coefficient B | 4.22812e+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. | 480.56 | |||
| Temperature range, max. | 1022.85 | |||
| η | 0.0004973 | Pa×s | 480.56 | Calculated Property |
| η | 0.0001866 | Pa×s | 540.81 | Calculated Property |
| η | 0.0000852 | Pa×s | 601.07 | Calculated Property |
| η | 0.0000449 | Pa×s | 661.32 | Calculated Property |
| η | 0.0000263 | Pa×s | 721.58 | Calculated Property |
| η | 0.0000168 | Pa×s | 781.83 | Calculated Property |
| η | 0.0000114 | Pa×s | 842.09 | Calculated Property |
| η | 0.0000081 | Pa×s | 902.34 | Calculated Property |
| η | 0.0000061 | Pa×s | 962.60 | Calculated Property |
| η | 0.0000047 | Pa×s | 1022.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,10,12,16-Tetramethylhexatriacontane.
Sources
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