- InChI
- InChI=1S/C20H42/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h17-20H,7-16H2,1-6H3
- InChI Key
- KKFZXXATNGJPJS-UHFFFAOYSA-N
- Formula
- C20H42
- SMILES
- CC(C)CCCC(C)CCCCC(C)CCCC(C)C
- Molecular Weight1
- 282.55
- CAS
- 504-44-9
- Other Names
-
- 2,6,11,15-Tetramethylhexadecane
- Crocetane
- 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 | 0.7267 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.472 | Crippen Calculated Property | |
| McVol | 292.660 | ml/mol | McGowan Calculated Property |
| Pc | 1036.57 | kPa | Joback Calculated Property |
| Inp | [1792.00; 1813.00] |
|
|
| Inp | 1792.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Tboil | 592.00 ± 0.60 | K | NIST |
| Tc | 729.85 | K | Relay (1.0) Calculated Property |
| Tfus | 228.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.50; 1053.30] | 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 | -2.20200e+01 | |||
| Coefficient B | 1.92752e+00 | |||
| Coefficient C | -1.07700e-03 | |||
| Coefficient D | 2.24800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 428.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 535.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 630.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 716.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 791.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 858.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 917.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 969.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1014.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1053.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0197594; 0.0001180] | Pa×s | [255.16; 576.20] |
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 | -1.31141e+01 | |||
| Coefficient B | 2.34492e+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. | 255.16 | |||
| Temperature range, max. | 576.20 | |||
| η | 0.0197594 | Pa×s | 255.16 | Calculated Property |
| η | 0.0064011 | Pa×s | 290.83 | Calculated Property |
| η | 0.0026527 | Pa×s | 326.50 | Calculated Property |
| η | 0.0013077 | Pa×s | 362.17 | Calculated Property |
| η | 0.0007318 | Pa×s | 397.84 | Calculated Property |
| η | 0.0004506 | Pa×s | 433.51 | Calculated Property |
| η | 0.0002986 | Pa×s | 469.18 | Calculated Property |
| η | 0.0002098 | Pa×s | 504.85 | Calculated Property |
| η | 0.0001544 | Pa×s | 540.52 | Calculated Property |
| η | 0.0001180 | Pa×s | 576.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 2,6,11,15-tetramethyl-.
Sources
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