- InChI
- InChI=1S/C17H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h3-17H2,1-2H3
- InChI Key
- YOTHBMSACCHRLC-UHFFFAOYSA-N
- Formula
- C17H36O
- SMILES
- CCCCCCCCCCCCCCCCOC
- Molecular Weight1
- 256.47
- CAS
- 7307-53-1
- 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).
- 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 | 0.7987 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.114 | Crippen Calculated Property | |
| McVol | 256.260 | ml/mol | McGowan Calculated Property |
| Pc | 1216.59 | kPa | Joback Calculated Property |
| Tboil | 565.03 | K | Relay (1.0) Calculated Property |
| Tc | 733.31 | K | Relay (1.0) Calculated Property |
| Tfus | 295.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.021 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.52; 914.87] | 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 | 1.29350e+01 | |||
| Coefficient B | 1.55564e+00 | |||
| Coefficient C | -7.90000e-04 | |||
| Coefficient D | 1.36300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 381.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 550.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 623.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 688.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 746.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 797.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 842.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 881.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 914.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031310; 0.0001677] | Pa×s | [303.58; 539.27] |
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 | -1.24640e+01 | |||
| Coefficient B | 2.03325e+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. | 303.58 | |||
| Temperature range, max. | 539.27 | |||
| η | 0.0031310 | Pa×s | 303.58 | Calculated Property |
| η | 0.0018395 | Pa×s | 329.77 | Calculated Property |
| η | 0.0011687 | Pa×s | 355.95 | Calculated Property |
| η | 0.0007901 | Pa×s | 382.14 | Calculated Property |
| η | 0.0005617 | Pa×s | 408.33 | Calculated Property |
| η | 0.0004161 | Pa×s | 434.52 | Calculated Property |
| η | 0.0003189 | Pa×s | 460.70 | Calculated Property |
| η | 0.0002515 | Pa×s | 486.89 | Calculated Property |
| η | 0.0002032 | Pa×s | 513.08 | Calculated Property |
| η | 0.0001677 | Pa×s | 539.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl hexadecyl ether.
Sources
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