- InChI
- InChI=1S/C16H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3-16H2,1-2H3
- InChI Key
- NMMIRFKUKVHGTQ-UHFFFAOYSA-N
- Formula
- C16H34O
- SMILES
- CCCCCCCCCCCCOCCCC
- Molecular Weight1
- 242.44
- CAS
- 7289-38-5
- 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 | 0.7782 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.724 | Crippen Calculated Property | |
| McVol | 242.170 | ml/mol | McGowan Calculated Property |
| Pc | 1302.35 | kPa | Joback Calculated Property |
| Tboil | 550.23 | K | Relay (1.0) Calculated Property |
| Tc | 726.01 | K | Relay (1.0) Calculated Property |
| Tfus | 252.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.962 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.31; 863.28] | 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 | 1.38440e+01 | |||
| Coefficient B | 1.46064e+00 | |||
| Coefficient C | -7.35600e-04 | |||
| Coefficient D | 1.24400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 360.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 519.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 588.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 649.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 704.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 752.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 794.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 831.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 863.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033879; 0.0001814] | Pa×s | [292.31; 523.15] |
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 | -1.23212e+01 | |||
| Coefficient B | 1.93909e+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. | 292.31 | |||
| Temperature range, max. | 523.15 | |||
| η | 0.0033879 | Pa×s | 292.31 | Calculated Property |
| η | 0.0019840 | Pa×s | 317.96 | Calculated Property |
| η | 0.0012584 | Pa×s | 343.61 | Calculated Property |
| η | 0.0008503 | Pa×s | 369.26 | Calculated Property |
| η | 0.0006046 | Pa×s | 394.90 | Calculated Property |
| η | 0.0004481 | Pa×s | 420.55 | Calculated Property |
| η | 0.0003438 | Pa×s | 446.20 | Calculated Property |
| η | 0.0002715 | Pa×s | 471.85 | Calculated Property |
| η | 0.0002196 | Pa×s | 497.50 | Calculated Property |
| η | 0.0001814 | Pa×s | 523.15 | Calculated Property |
Similar Compounds
Find more compounds similar to butyl dodecyl ether.
Sources
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