- InChI
- InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3-12H2,1-2H3
- InChI Key
- FBLLWAUEWCBESD-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCCCCCCOC
- Molecular Weight1
- 186.33
- CAS
- 7289-53-4
- 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.
- 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 | 0.6209 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.164 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | [1318.00; 1325.00] |
|
|
| Inp | 1325.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Ip | 1453.00 | NIST | |
| Tboil | 495.71 | K | Relay (1.0) Calculated Property |
| Tc | 668.47 | K | Relay (1.0) Calculated Property |
| Tfus | 262.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.733 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.45; 656.92] | 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 | 1.74800e+01 | |||
| Coefficient B | 1.08064e+00 | |||
| Coefficient C | -5.18000e-04 | |||
| Coefficient D | 7.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 275.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 395.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 447.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 535.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 572.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 604.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 632.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 656.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042171; 0.0002261] | Pa×s | [247.23; 460.37] |
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 | -1.17884e+01 | |||
| Coefficient B | 1.56245e+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. | 247.23 | |||
| Temperature range, max. | 460.37 | |||
| η | 0.0042171 | Pa×s | 247.23 | Calculated Property |
| η | 0.0024271 | Pa×s | 270.91 | Calculated Property |
| η | 0.0015266 | Pa×s | 294.59 | Calculated Property |
| η | 0.0010288 | Pa×s | 318.28 | Calculated Property |
| η | 0.0007323 | Pa×s | 341.96 | Calculated Property |
| η | 0.0005447 | Pa×s | 365.64 | Calculated Property |
| η | 0.0004200 | Pa×s | 389.32 | Calculated Property |
| η | 0.0003337 | Pa×s | 413.01 | Calculated Property |
| η | 0.0002718 | Pa×s | 436.69 | Calculated Property |
| η | 0.0002261 | Pa×s | 460.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl undecyl ether.
Sources
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