- InChI
- InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
- InChI Key
- AJAKLDUGVSKVDG-UHFFFAOYSA-N
- Formula
- C20H42O
- SMILES
- CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
- Molecular Weight1
- 298.55
- Other Names
-
- Dihydrophytol
- 3,7,11,15-Tetramethylhexadecanol
- 3,7,11,15-tetramethylhexadecan-1-ol
- 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).
- 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.
- Ip : 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 | 0.9461 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.59 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.444 | Crippen Calculated Property | |
| McVol | 298.530 | ml/mol | McGowan Calculated Property |
| Pc | 1100.81 | kPa | Joback Calculated Property |
| Inp | [2070.00; 2078.00] |
|
|
| Inp | 2078.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Ip | [2537.00; 2537.00] |
|
|
| Ip | 2537.00 | NIST | |
| Ip | 2537.00 | NIST | |
| Tboil | 610.46 | K | Relay (1.0) Calculated Property |
| Tc | 789.09 | K | Relay (1.0) Calculated Property |
| Tfus | 251.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.101 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.00; 1071.97] | 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 | -1.67290e+01 | |||
| Coefficient B | 1.96150e+00 | |||
| Coefficient C | -1.10740e-03 | |||
| Coefficient D | 2.34600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 548.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 645.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 732.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 808.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 876.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 935.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 987.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1032.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1071.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0239244; 0.0000342] | Pa×s | [315.98; 643.98] |
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 | -1.65960e+01 | |||
| Coefficient B | 4.06451e+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. | 315.98 | |||
| Temperature range, max. | 643.98 | |||
| η | 0.0239244 | Pa×s | 315.98 | Calculated Property |
| η | 0.0063263 | Pa×s | 352.42 | Calculated Property |
| η | 0.0021465 | Pa×s | 388.87 | Calculated Property |
| η | 0.0008765 | Pa×s | 425.31 | Calculated Property |
| η | 0.0004123 | Pa×s | 461.76 | Calculated Property |
| η | 0.0002166 | Pa×s | 498.20 | Calculated Property |
| η | 0.0001242 | Pa×s | 534.64 | Calculated Property |
| η | 0.0000764 | Pa×s | 571.09 | Calculated Property |
| η | 0.0000499 | Pa×s | 607.53 | Calculated Property |
| η | 0.0000342 | Pa×s | 643.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecanol, 3,7,11,15-tetramethyl-.
Sources
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